All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
16751 12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide 12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide 12a-Acetoxy-19b-hydroxyscalara-15,17-dien-20,19-olide C27H38O5 442.272 InChIKey=BJBGDHNOBUEPQV-HDRSVQBTSA-N No Yes
16752 4,4,8-Trimethyl-12alpha,16beta-diacetoxy-17abeta-hydroxy-D(17a)-homo-5alpha-pregn-17(20)-en-21-oic acid lactone 4,4,8-Trimethyl-12alpha,16beta-diacetoxy-17abeta-hydroxy-D(17a)-homo-5alpha-pregn-17(20)-en-21-oic acid lactone 4,4,8-Trimethyl-12alpha,16beta-diacetoxy-17abeta-hydroxy-D(17a)-homo-5alpha-pregn-17(20)-en-21-oic acid lactone C29H42O6 486.298 InChIKey=BLJGSVDJEZNZJS-MGAFUVBDSA-N No Yes
16753 3beta-Hydroxy-9-oxo-5,6alpha-epoxy-9,11-seco-5alpha-cholest-7-en-11-al 3beta-Hydroxy-9-oxo-5,6alpha-epoxy-9,11-seco-5alpha-cholest-7-en-11-al 3beta-Hydroxy-9-oxo-5,6alpha-epoxy-9,11-seco-5alpha-cholest-7-en-11-al C27H42O4 430.308 InChIKey=HWTUUAJZGNFIHU-AUZHTAODSA-N No Yes
16754 Luffasterol A Luffasterol A Luffasterol A C29H44O5 472.319 InChIKey=LULBFAIQTMKTGW-DIRNYYKDSA-N No Yes
16755 CHEMBL497267 CHEMBL497267 CHEMBL497267 C26H42O3 402.313 InChIKey=QHFVSFLUJAOZGP-GHHYXYIFSA-N No Yes
16756 3-Hydroxy-20,22-dimethyl-20-deoxoscalarin 3-Hydroxy-20,22-dimethyl-20-deoxoscalarin 3-Hydroxy-20,22-dimethyl-20-deoxoscalarin C29H46O5 474.335 InChIKey=IYKWUSNGOFXOTP-BALUWSTMSA-N No Yes
16757 3-Oxo-20,22-dimethyl-20-deoxoscalarin 3-Oxo-20,22-dimethyl-20-deoxoscalarin 3-Oxo-20,22-dimethyl-20-deoxoscalarin C29H44O5 472.319 InChIKey=AOYWFFBBJQDFKW-NNKWHUKGSA-N No Yes
16758 Sesterstatin 1 Sesterstatin 1 Sesterstatin 1 C25H38O4 402.277 InChIKey=IELITCZHWCOSJX-VAWUUXLBSA-N No Yes
16759 Sesterstatin 2 Sesterstatin 2 Sesterstatin 2 C25H38O4 402.277 InChIKey=BHUWRPVVYSATJU-QDNKKCNYSA-N No Yes
16760 Sesterstatin 3 Sesterstatin 3 Sesterstatin 3 C25H38O4 402.277 InChIKey=BHUWRPVVYSATJU-PWBGEZQRSA-N No Yes
16761 3-O-Deacetylluffasterol B 3-O-Deacetylluffasterol B 3-O-Deacetylluffasterol B C28H42O4 442.308 InChIKey=CZZPXDDQEIHYNY-QIBDZGQISA-N No Yes
16762 3-O-Deacetyl-22,23-dihydro-24,28-dehydroluffasterol B 3-O-Deacetyl-22,23-dihydro-24,28-dehydroluffasterol B 3-O-Deacetyl-22,23-dihydro-24,28-dehydroluffasterol B C28H42O4 442.308 InChIKey=WXLRMCWJGIIWNT-JIJRDBPRSA-N No Yes
16763 CHEMBL476712 CHEMBL476712 CHEMBL476712 C27H40O4 428.293 InChIKey=LSYWMMZYLYAJTO-IDKZBBNMSA-N No Yes
16764 16-Epi-Scalarolbutenolide 16-Epi-Scalarolbutenolide 16-Epi-Scalarolbutenolide C27H40O5 444.288 InChIKey=NUXDYAGOJZSDBF-ZWRXBZFVSA-N No Yes
16765 Scalarolbutenolide Scalarolbutenolide Scalarolbutenolide C27H40O5 444.288 InChIKey=NUXDYAGOJZSDBF-QGSFHRMASA-N No Yes
16766 4,4,8-Trimethyl-5'alpha,12beta-dihydroxy-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3-one 4,4,8-Trimethyl-5'alpha,12beta-dihydroxy-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3-one 4,4,8-Trimethyl-5'alpha,12beta-dihydroxy-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3-one C25H38O4 402.277 InChIKey=KHYDTIKDUFOUBY-QPLORUKHSA-N No Yes
16767 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol C25H40O4 404.293 InChIKey=FJUOWUVQEVUWDX-MAVWPOPNSA-N No Yes
16768 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol 12-acetate 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol 12-acetate 4,4,8-Trimethyl-2',5',17aalpha-trihydro-16-dehydro-D-homo-5alpha-androstano[17,17a-c]furan-3beta,5'alpha,12beta-triol 12-acetate C27H42O5 446.303 InChIKey=HNSGSRVVIJFFGB-QMXYAEKJSA-N No Yes
16769 12-Deacetoxy-12-epi-deoxoscalarin 12-Deacetoxy-12-epi-deoxoscalarin 12-Deacetoxy-12-epi-deoxoscalarin C25H40O3 388.298 InChIKey=TVZPMYDGQOHLDW-VKYCOJTLSA-N No Yes
16770 12-O-Desacetylfuroscalar-16-one 12-O-Desacetylfuroscalar-16-one 12-O-Desacetylfuroscalar-16-one C25H36O3 384.266 InChIKey=IWYCBPAEAMVQSX-QHAPXMKLSA-N No Yes
16772 Phyllolactone B Phyllolactone B Phyllolactone B C30H46O5 486.335 InChIKey=KGWYOVQTMLIBDJ-NGORUNKJSA-N No Yes
16773 Phyllolactone A Phyllolactone A Phyllolactone A C31H48O5 500.350 InChIKey=XUWJYWCCEJGDRF-CIITUREPSA-N No Yes
16774 Phyllolactone C Phyllolactone C Phyllolactone C C29H44O5 472.319 InChIKey=DMEJTJRZMKFCQV-QTFXJGTNSA-N No Yes
16775 Phyllolactone D Phyllolactone D Phyllolactone D C32H48O6 528.345 InChIKey=FOJBYUBLLYNGHS-MWWPZRBSSA-N No Yes
16776 Phyllolactone E Phyllolactone E Phyllolactone E C27H42O4 430.308 InChIKey=SVISVOXFRVZRGG-NLGGWLQDSA-N No Yes
16777 4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde 4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde 4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde C27H44O3 416.329 InChIKey=LUYVYHXDAGGGLM-RYEROESMSA-N No Yes
16778 Oxaspirosuberitenone Oxaspirosuberitenone Oxaspirosuberitenone C27H42O5 446.303 InChIKey=ADMZBYSSCXRYIV-BOFZKJAKSA-N No Yes
16779 19-Episuberitenone 19-Episuberitenone 19-Episuberitenone C27H42O4 430.308 InChIKey=ZTMQHXLRDHJYRQ-XSNOHSHXSA-N No Yes
16780 Suberitenone B Suberitenone B Suberitenone B C27H42O5 446.303 InChIKey=DSZZAWMJNZOMHU-IWNJVDBKSA-N No Yes
16781 E,E-Incanic  acid dimethyl ester E,E-Incanic acid dimethyl ester E,E-Incanic  acid dimethyl ester C22H30O5 374.209 InChIKey=RHYBSUZKHZEFTF-XJLUXGSESA-N No Yes
16782 (2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester (2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester (2E,6E)-2-(4-Methyl-3-pentenyl)-6-[3-(3-furyl)propylidene]-2-heptenedioic acid dimethyl ester C22H30O5 374.209 InChIKey=RHYBSUZKHZEFTF-PFTXGBMHSA-N No Yes
16783 Muquketone Muquketone Muquketone C18H30O1 262.230 InChIKey=JJTXQCMHUFFVOF-RIYZIHGNSA-N No Yes
16785 Annuionone A Annuionone A Annuionone A C13H20O3 224.141 InChIKey=WFJIRKYCKBTOGT-AGIUHOORSA-N No Yes
16786 Annuionone E Annuionone E Annuionone E C13H22O3 226.157 InChIKey=YLXMIDJRRREVMX-RYDUCSDGSA-N No Yes
16789 Ancistrogriffithine A Ancistrogriffithine A Ancistrogriffithine A C48H52N2O7 768.377 InChIKey=YDPHVXMFUUOMBN-ADUOGZPQSA-N No Yes
16790 Sylviside Sylviside Sylviside C31H44O12 608.283 InChIKey=PUCBVOBXLMBRDL-PISQVOHWSA-N No Yes
16791 Parvifoline C Parvifoline C Parvifoline C C20H28O6 364.189 InChIKey=QLHPKYOLEZSDEB-RTVBOLJZSA-N No Yes
16792 Parvifoline D Parvifoline D Parvifoline D C20H28O7 380.184 InChIKey=FZOFIVYXNKRMRA-WAENPKKHSA-N No Yes
16793 Parvifoline E Parvifoline E Parvifoline E C22H30O8 422.194 InChIKey=KLQMKLWEZHZLQJ-PCTPKWQJSA-N No Yes
16794 Parvifoline F Parvifoline F Parvifoline F C20H26O5 346.178 InChIKey=UJPKXOZQNNGBRA-NLZXPPLBSA-N No Yes
16795 Parvifoline G Parvifoline G Parvifoline G C26H34O9 490.220 InChIKey=KMFANKOEKKLUCM-RNYBVCNRSA-N No Yes
16796 Parvifoline H Parvifoline H Parvifoline H C22H30O7 406.199 InChIKey=YJYNZCZZOPKSEI-XNZHLAQLSA-N No Yes
16797 Parvifoline I Parvifoline I Parvifoline I C22H30O7 406.199 InChIKey=UGIAYRYHEATYSR-XNZHLAQLSA-N No Yes
16798 Parvifoline J Parvifoline J Parvifoline J C23H34O8 438.225 InChIKey=HSPWQVFLXJMEHX-YYACTILMSA-N No Yes
16799 Parvifoline K Parvifoline K Parvifoline K C22H34O8 426.225 InChIKey=YRVQGTNACPWQGA-GKGSLPFKSA-N No Yes
16800 Effusanin A Effusanin A Effusanin A C20H28O5 348.194 InChIKey=PXLVZESUZUOWAJ-DAJLGGPJSA-N No Yes
16801 Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid Ent-11a,13,16a,17-tetrahydroxykauran-19-oic acid C20H32O6 368.220 InChIKey=CLZMFZXKAVMDSS-MPTZYYOXSA-N No Yes
16802 (12β)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid (12β)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid (12β)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid C20H30O5 350.209 InChIKey=ZBYFDMJURKQXPY-AAZDQIMRSA-N No Yes
16803 (12α)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid (12α)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid (12α)-12,17-Dihydroxy-16-oxobeyeran-18-oic acid C20H30O5 350.209 InChIKey=ZBYFDMJURKQXPY-JNQXFYDPSA-N No Yes
16804 (2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid (2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid (2β)-2,17-Dihydroxy-16-oxobeyeran-18-oic acid C20H30O5 350.209 InChIKey=KMKPSMWXDMKNAT-JNQXFYDPSA-N No Yes