All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
13907 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7alpha,8alpha-dihydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7alpha,8alpha-dihydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7alpha,8alpha-dihydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester C21H30O6 378.204 InChIKey=WHHJYCIHDIOTJN-QTMFJGDTSA-N No Yes
13908 (1R,8R,9R,10R,11S,12R)-10-Hydroxy-9,11,12-trimethyl-12-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-2-oxatricyclo[6.2.2.04,9]dodec-4-en-3-one (1R,8R,9R,10R,11S,12R)-10-Hydroxy-9,11,12-trimethyl-12-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-2-oxatricyclo[6.2.2.04,9]dodec-4-en-3-one (1R,8R,9R,10R,11S,12R)-10-Hydroxy-9,11,12-trimethyl-12-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-2-oxatricyclo[6.2.2.04,9]dodec-4-en-3-one C20H26O5 346.178 InChIKey=GDRCEFCKXNOFJJ-KXJHHETNSA-N No Yes
13909 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(2-oxo-5-hydroxy-2,5-dihydrofuran-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(2-oxo-5-hydroxy-2,5-dihydrofuran-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(2-oxo-5-hydroxy-2,5-dihydrofuran-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester C21H30O6 378.204 InChIKey=IAOFEWQUUQTEJH-WATZQGMSSA-N No Yes
13910 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester 5alpha,6alpha,8aalpha-Trimethyl-5-[2-(furan-3-yl)ethyl]-8alpha-hydroxy-3,4,4abeta,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid methyl ester C21H30O4 346.214 InChIKey=PDCJRPDIEWEPHE-WTLMAMESSA-N No Yes
13911 Difuranofruticol Difuranofruticol Difuranofruticol C19H24O3 300.173 InChIKey=JEUMEIXMPGRZHR-CPIREHHASA-N No Yes
13912 Deoxyfruticolone Deoxyfruticolone Deoxyfruticolone C22H30O5 374.209 InChIKey=FHWOANGPYCUZLI-ISLLMKKTSA-N No Yes
13913 10-Hydroxyteucjaponin B 10-Hydroxyteucjaponin B 10-Hydroxyteucjaponin B C22H28O8 420.178 InChIKey=DXODNKAZIJJHJD-HZGBZVSPSA-N No Yes
13914 Dantaxusin A Dantaxusin A Dantaxusin A C35H40O10 620.262 InChIKey=YVSSEWCMPIXNDO-JSYNTOBLSA-N No Yes
13916 5-Trocbrevifoliol 5-Trocbrevifoliol 5-Trocbrevifoliol C31H40O9 556.267 InChIKey=VWGCDYGRSUJYGJ-GPOPEEISSA-N No Yes
13917 (1S,3R,5S,7S,8S,9R,10R,13R)-7,9-Diacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-14-oxatetracyclo[11.2.1.01,11.03,8]hexadec-11-en-10-yl benzoate (1S,3R,5S,7S,8S,9R,10R,13R)-7,9-Diacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-14-oxatetracyclo[11.2.1.01,11.03,8]hexadec-11-en-10-yl benzoate (1S,3R,5S,7S,8S,9R,10R,13R)-7,9-Diacetoxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylene-14-oxatetracyclo[11.2.1.01,11.03,8]hexadec-11-en-10-yl benzoate C31H38O8 538.257 InChIKey=XHGFSMQVFKESFC-OJPNILEQSA-N No Yes
13921 1a,2b,9a-Trihydroxy-10b-acetoxy-5a-cinnamoyloxy-3,11-cycloaxa-4(20)-en-13-one 1a,2b,9a-Trihydroxy-10b-acetoxy-5a-cinnamoyloxy-3,11-cycloaxa-4(20)-en-13-one 1a,2b,9a-Trihydroxy-10b-acetoxy-5a-cinnamoyloxy-3,11-cycloaxa-4(20)-en-13-one C31H38O8 538.257 InChIKey=XUOMQASZGNRVGJ-BGEFCBMJSA-N No Yes
13922 2a,9a,10b-Triacetoxy-20-hydroxy-11,12-epoxytaxa-4-en-13-one 2a,9a,10b-Triacetoxy-20-hydroxy-11,12-epoxytaxa-4-en-13-one 2a,9a,10b-Triacetoxy-20-hydroxy-11,12-epoxytaxa-4-en-13-one C26H36O9 492.236 InChIKey=CTJYQMYAQQWELR-NGVUTHNNSA-N No Yes
13932 (3E,7E)-2a,10b,13a-Triacetoxy-5a,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one (3E,7E)-2a,10b,13a-Triacetoxy-5a,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one (3E,7E)-2a,10b,13a-Triacetoxy-5a,20-dihydroxy-3,8-secotaxa-3,7,11-trien-9-one C26H36O9 492.236 InChIKey=LCNWHWQWDCQBSE-QJHWJYAYSA-N No Yes
13933 (3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one (3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one (3E,7E)-2a,10b-Diacetoxy-5a,13a,20-trihydroxy-3,8-secotaxa-3,7,11-trien-9-one C24H34O8 450.225 InChIKey=HHYWWQLZKXSUFQ-QSOOSBSQSA-N No Yes
13934 2-Deacetyl taxachitriene A 2-Deacetyl taxachitriene A 2-Deacetyl taxachitriene A C30H42O12 594.268 InChIKey=ARCDGVGZYWJKDA-XMEDSGMUSA-N No Yes
13935 19-Acetoxytaxagifine 19-Acetoxytaxagifine 19-Acetoxytaxagifine C39H46O15 754.284 InChIKey=YJLKXWCZWJGUAN-OILLXYFHSA-N No Yes
13938 5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one 5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one 5a-Cinnamyloxy-7b,10b,13a-triacetoxy-2(3f20)abeotaxa-2a-hydroxy-4(20),11-dien-9-one C35H42O10 622.278 InChIKey=RCVDERYCNOTRPF-CRMVJMMESA-N No Yes
13939 5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one 5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one 5a-Cinnamyloxy-10b,13a-diacetoxy-2(3-->20)abeotaxa-2a,7b-dihydroxy-4(20),11-dien-9-one C33H40O9 580.267 InChIKey=WNOWLWNAESNNDL-IHNXBZDVSA-N No Yes
13940 5a-Cinnamyloxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)-abeotaxa-4-(20),11-dien-9-one 5a-Cinnamyloxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)-abeotaxa-4-(20),11-dien-9-one 5a-Cinnamyloxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)-abeotaxa-4-(20),11-dien-9-one C37H44O11 664.288 InChIKey=DKZXQGOHQYTIFM-ZPRCITIMSA-N No Yes
13941 5a-Hydroxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)abeotaxa-4(20),11-dien-9-one) 5a-Hydroxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)abeotaxa-4(20),11-dien-9-one) 5a-Hydroxy-2a,7b,10b,13a-tetraacetoxy-2(3-->20)abeotaxa-4(20),11-dien-9-one) C28H38O10 534.246 InChIKey=MLYDZECFCXRQOK-IANSKHESSA-N No Yes
13943 9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene 9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene 9a- Hydroxy-14b-(2-methylbutyryl)oxy-2a,5a,10b-triacetoxytaxa-4(20),11-diene C31H46O9 562.314 InChIKey=JQIOGFDAUPKVOL-SJQXLRRASA-N No Yes
13944 2a,5a,9a,10b,14b-Pentaacetoxytaxa-4(20),11-diene 2a,5a,9a,10b,14b-Pentaacetoxytaxa-4(20),11-diene 2a,5a,9a,10b,14b-Pentaacetoxytaxa-4(20),11-diene C30H42O10 562.278 InChIKey=MDPMMMYRDXOPQH-ZARNYMJHSA-N No Yes
13945 5a-(Cinnamoyl)oxy-7b-hydroxy-9a,10b,13a-tri-acetoxytaxa-4(20),11-diene 5a-(Cinnamoyl)oxy-7b-hydroxy-9a,10b,13a-tri-acetoxytaxa-4(20),11-diene 5a-(Cinnamoyl)oxy-7b-hydroxy-9a,10b,13a-tri-acetoxytaxa-4(20),11-diene C35H44O8 592.304 InChIKey=RIVHKUMNQRHVLQ-WPPRULKUSA-N No Yes
13946 5a-Hydroxy-9a,10b,13a-triacetoxytaxa-4(20),11-diene 5a-Hydroxy-9a,10b,13a-triacetoxytaxa-4(20),11-diene 5a-Hydroxy-9a,10b,13a-triacetoxytaxa-4(20),11-diene C28H40O8 504.272 InChIKey=SKJSIVQEPKBFTJ-HUWILPJBSA-N No Yes
13953 Baccatin VI Baccatin VI Baccatin VI C37H46O14 714.289 InChIKey=UJFKTEIDORFVQS-SKNQRQHZSA-N No Yes
13957 Brevitaxin Brevitaxin Brevitaxin C30H30O7 502.199 InChIKey=STCQKVIMCUPRKK-PVCWFJFTSA-N No Yes
13958 13-Deacetylcanadensene 13-Deacetylcanadensene 13-Deacetylcanadensene C28H40O11 552.257 InChIKey=KSZOOYZKDSXGIR-MUNQYTQDSA-N No Yes
13961 (12a)-2a-Acetoxy-5a,9a,10b-trihydroxy-3,11-cyclotax-4(20)-en-13-one (12a)-2a-Acetoxy-5a,9a,10b-trihydroxy-3,11-cyclotax-4(20)-en-13-one (12a)-2a-Acetoxy-5a,9a,10b-trihydroxy-3,11-cyclotax-4(20)-en-13-one C22H32O6 392.220 InChIKey=UTWKAYGABWYRCX-UUHZOQNTSA-N No Yes
13962 2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one 2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one 2a,7b,13a-Triacetoxy,5a,9a-dihydroxy-2(3-->20)abeotaxa-4(20),11-dien-10-one C26H36O9 492.236 InChIKey=KFMLUMNMAGWYIP-HOURTPDESA-N No Yes
13964 Taxinine NN-7 Taxinine NN-7 Taxinine NN-7 C33H40O8 564.272 InChIKey=SPZFWGXRAFVTPQ-ZQXBODBKSA-N No Yes
13965 3,11-Cyclotaxinine NN-2 3,11-Cyclotaxinine NN-2 3,11-Cyclotaxinine NN-2 C35H42O10 622.278 InChIKey=XQLJYGLHZIUECS-LRYFCDJFSA-N No Yes
13967 Russulanorol Russulanorol Russulanorol C14H22O4 254.152 InChIKey=WPUSLCWXCTWURJ-UGMPATFPSA-N No Yes
13968 C14H22O4 254.152 InChIKey=WPUSLCWXCTWURJ-PQZGULJRSA-N No Yes
13969 (1S,2S,6R,7S,9R,10R,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol (1S,2S,6R,7S,9R,10R,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol (1S,2S,6R,7S,9R,10R,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diol C14H22O4 254.152 InChIKey=WPUSLCWXCTWURJ-UGMPATFPSA-N No Yes
13970 C14H22O4 254.152 InChIKey=WPUSLCWXCTWURJ-PQZGULJRSA-N No Yes
13971 (1S,2S,6R,7S,9S,10S,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diyl diacetate (1S,2S,6R,7S,9S,10S,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diyl diacetate (1S,2S,6R,7S,9S,10S,11R)-1,4,4-Trimethyl-8,13-dioxatetracyclo[8.2.1.02,6.07,11]tridecane-9,10-diyl diacetate C18H26O6 338.173 InChIKey=FLVHERBUJMGZLX-SJUQTRBKSA-N No Yes
13972 (1S,2S,6R,7S,8R)-1,4,4-Trimethyl-9-oxo-10-oxatricyclo[6.2.1.02,6]undec-7-yl formate (1S,2S,6R,7S,8R)-1,4,4-Trimethyl-9-oxo-10-oxatricyclo[6.2.1.02,6]undec-7-yl formate (1S,2S,6R,7S,8R)-1,4,4-Trimethyl-9-oxo-10-oxatricyclo[6.2.1.02,6]undec-7-yl formate C14H20O4 252.136 InChIKey=GORMMQIICZJCMO-WCCFOQQASA-N No Yes
13973 1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone 1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone 1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone C13H18O4 238.121 InChIKey=PNXUETLHHILYAC-CYDGBPFRSA-N No Yes
13974 (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol C21H30O1 298.230 InChIKey=XHNZPNPJWBRFHM-KOUHRCEDSA-N No Yes
13975 (1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-4,4,8-Trimethyl-1-phenoxytricyclo[6.3.1.02,5]dodecane C21H30O1 298.230 InChIKey=KFMSDSUCLGCEIS-JYRKZWEQSA-N No Yes
13976 (1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-4,4,8-Trimethyl-1-(2-methylphenoxy)tricyclo[6.3.1.02,5]dodecane C22H32O1 312.245 InChIKey=PPLMIYGORLWREV-OSZJIOELSA-N No Yes
13977 (1R,2S,5R,8S)-2-Methyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-2-Methyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-2-Methyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol C22H32O2 328.240 InChIKey=UOJXORRGMGJBAD-OSZJIOELSA-N No Yes
13978 (1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol (1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol (1S,2S,5R,8R)-2-Methyl-4-(1,4,4-trimethyltricyclo[6.3.1.02.5]dodec-8-yl)phenol C22H32O1 312.245 InChIKey=LAVANLKZTSGXCZ-OSZJIOELSA-N No Yes
13979 (1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-1-(3,5-Dimethylphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane C23H34O1 326.261 InChIKey=YSPLTCFJCXTKAY-SKWRMQMOSA-N No Yes
13980 (1R,2S,5R,8S)-2,6-Dimethyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-2,6-Dimethyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol (1R,2S,5R,8S)-2,6-Dimethyl-4-(4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl)phenol C23H34O2 342.256 InChIKey=XZYSRPYXAFEVFP-VNHKHXMHSA-N No Yes
13981 (1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol (1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol (1R,2S,5R,8S)-2-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol C21H30O2 314.225 InChIKey=NGKYFDOEIZWCNC-XTCWOQMQSA-N No Yes
13982 (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,2-diol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,2-diol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,2-diol C21H30O2 314.225 InChIKey=KBIALSAEPBWOLG-VAKZPMALSA-N No Yes
13983 (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl)benzene-1,3-diol C21H30O2 314.225 InChIKey=HWVYIZHFAJZCEW-KOUHRCEDSA-N No Yes
13984 (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol (1R,2S,5R,8S)-4-(4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yloxy)phenol C21H30O2 314.225 InChIKey=DQHZBTVQAYEXPX-JYRKZWEQSA-N No Yes
13985 (1R,2S,5R,8S)-1-(4-Allyl-2-methoxyphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-1-(4-Allyl-2-methoxyphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane (1R,2S,5R,8S)-1-(4-Allyl-2-methoxyphenoxy)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane C25H36O2 368.272 InChIKey=NLPWXBDZKVHVAU-GRADPPADSA-N No Yes