All Compounds in Database

Record Name Formula Exact Mass InChIKey Proton NMR Carbon NMR
10026 10-Epi-8-Deoxycumambrin 10-Epi-8-Deoxycumambrin 10-Epi-8-Deoxycumambrin C15H20O3 248.141 InChIKey=OFLYCXXPHVLOQG-KBRXKUPHSA-N No Yes
10027 Desoxygeigerin Desoxygeigerin Desoxygeigerin C15H20O3 248.141 InChIKey=DUMCJGUZARULAI-CQJWACJCSA-N No Yes
10029 (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6b-lactone (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6b-lactone (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6b-lactone C15H18O3 246.126 InChIKey=LTMYABZZYAQAJL-UHDKCUFZSA-N No Yes
10030 (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6α-lactone (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6α-lactone (11S)-3-Oxoeudesma-1,4(15)-dieno-12,6α-lactone C15H18O3 246.126 InChIKey=LTMYABZZYAQAJL-VTTLNAODSA-N No Yes
10032 7bH-eudesma-1,4(15),11-trien-3-one 7bH-eudesma-1,4(15),11-trien-3-one 7bH-eudesma-1,4(15),11-trien-3-one C15H20O1 216.151 InChIKey=KIIHCIFHXRAXKN-YDHLFZDLSA-N No Yes
10034 Dehydrochamaecynone Dehydrochamaecynone Dehydrochamaecynone C14H16O1 200.120 InChIKey=RTESQNRDPLLSCQ-RISCZKNCSA-N No Yes
10035 Isodehydrochamaecynone Isodehydrochamaecynone Isodehydrochamaecynone C14H16O1 200.120 InChIKey=IGGHNQBLFKBHMD-BZPMIXESSA-N No Yes
10037 Dehydrobrachylaenolide Dehydrobrachylaenolide Dehydrobrachylaenolide C15H16O3 244.110 InChIKey=GYBDKJQMRUKMGE-QJZXMWHDSA-N No Yes
10039 13-Noreudesma-1,4(15)-dien-11-yn-3-one 13-Noreudesma-1,4(15)-dien-11-yn-3-one 13-Noreudesma-1,4(15)-dien-11-yn-3-one C14H16O1 200.120 InChIKey=IGGHNQBLFKBHMD-DYEKYZERSA-N No Yes
10040 Litseagermacrane Litseagermacrane Litseagermacrane C15H24O2 236.178 InChIKey=RJCCYTWCDOEWGM-UCYCBVHCSA-N No Yes
10041 7-epi-eudesm-4(15)-ene-1alpha,6alpha-diol 7-epi-eudesm-4(15)-ene-1alpha,6alpha-diol 7-epi-eudesm-4(15)-ene-1alpha,6alpha-diol C15H26O2 238.193 InChIKey=WKKJGHCXVKEJNU-SEBNEYGDSA-N No Yes
10042 Litseahumulane A Litseahumulane A Litseahumulane A C15H24O2 236.178 InChIKey=SSWUIXHLQYARRL-FAYXPKFJSA-N No Yes
10043 Litseahumulane B Litseahumulane B Litseahumulane B C15H24O2 236.178 InChIKey=SSWUIXHLQYARRL-FARZUVDMSA-N No Yes
10044 (1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol (1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol (1R,3aS,4S,7aR)-1-[(1S)-1-hydroxy-2-methyl-propyl]-3a-methyl-7-methylene-2,3,4,5,6,7a-hexahydro-1H-inden-4-ol C15H26O2 238.193 InChIKey=OZBVMKPZPKMEGY-CAEXGNQWSA-N No Yes
10045 ainigmaptilones A ainigmaptilones A ainigmaptilones A C15H22O2 234.162 InChIKey=YTUPFINPNGTNSF-KYEXWDHISA-N No Yes
10046 ainigmaptilones B ainigmaptilones B ainigmaptilones B C15H20O2 232.146 InChIKey=AOOKMWKTMLYYLW-UMVBOHGHSA-N No Yes
10047 5beta-Hydroxyilicic acid 5beta-Hydroxyilicic acid 5beta-Hydroxyilicic acid C15H24O4 268.167 InChIKey=BWSMNSAZRMJSSZ-NMFUWQPSSA-N No Yes
10048 CHEMBL452244 CHEMBL452244 CHEMBL452244 C16H26O4 282.183 InChIKey=GPOKPUXLJPSKPE-OJLVUWQFSA-N No Yes
10049 3α-Hydroxyilicic acid 3α-Hydroxyilicic acid 3α-Hydroxyilicic acid C15H24O5 284.162 InChIKey=IZIYSZPRSOKQIX-GBIGGCNCSA-N No Yes
10050 (1R,4aalpha)-6alpha-Isopropyl-8abeta-methyl-4-methylenedecalin-1beta,2alpha,5alpha-triol (1R,4aalpha)-6alpha-Isopropyl-8abeta-methyl-4-methylenedecalin-1beta,2alpha,5alpha-triol (1R,4aalpha)-6alpha-Isopropyl-8abeta-methyl-4-methylenedecalin-1beta,2alpha,5alpha-triol C15H26O3 254.188 InChIKey=QZZPVQAAGDDIRD-DEPYFDJDSA-N No Yes
10051 (1R)-1beta,2alpha,5alpha-Trihydroxy-1,5,6,7,8,8a-hexahydro-6alpha-isopropyl-4,8abeta-dimethylnaphthalene-3(2H)-one (1R)-1beta,2alpha,5alpha-Trihydroxy-1,5,6,7,8,8a-hexahydro-6alpha-isopropyl-4,8abeta-dimethylnaphthalene-3(2H)-one (1R)-1beta,2alpha,5alpha-Trihydroxy-1,5,6,7,8,8a-hexahydro-6alpha-isopropyl-4,8abeta-dimethylnaphthalene-3(2H)-one C15H24O4 268.167 InChIKey=GBGWCKDCBLAKEA-KTDXIVQUSA-N No Yes
10052 (1R)-6alpha-Isopropyl-1,2,6,7,8,8a-hexahydro-4,8abeta-dimethylnaphthalene-1beta,2alpha-diol (1R)-6alpha-Isopropyl-1,2,6,7,8,8a-hexahydro-4,8abeta-dimethylnaphthalene-1beta,2alpha-diol (1R)-6alpha-Isopropyl-1,2,6,7,8,8a-hexahydro-4,8abeta-dimethylnaphthalene-1beta,2alpha-diol C15H24O2 236.178 InChIKey=UNJJBVJUBFDZLZ-RZFFKMDDSA-N No Yes
10053 9a-Acetoxycumambrin A (Conformation A at -51C) 9a-Acetoxycumambrin A (Conformation A at -51C) 9a-Acetoxycumambrin A (Conformation A at -51C) C19H24O7 364.152 InChIKey=ZYEPXKNEJAIFAP-WHMAEPELSA-N No Yes
10054 9a-Acetoxycumambrin A (Conformation B at -51 C) 9a-Acetoxycumambrin A (Conformation B at -51 C) 9a-Acetoxycumambrin A (Conformation B at -51 C) C19H24O7 364.152 InChIKey=ZYEPXKNEJAIFAP-WHMAEPELSA-N No Yes
10055 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation A at -51 C) 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation A at -51 C) 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation A at -51 C) C21H28O7 392.184 InChIKey=KGAWQKMDSYZWHP-WHTKOHMOSA-N No Yes
10056 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation B at -51 C) 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation B at -51 C) 8-O-Isobutyryl-9a-acetoxycumambrin B (Conformation B at -51 C) C21H28O7 392.184 InChIKey=KGAWQKMDSYZWHP-WHTKOHMOSA-N No Yes
10057 (3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one (3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one (3aR,3abeta,6abeta,9abeta,9balpha)-Decahydro-4alpha-(2-ethyl-2-hydroxy-1,3-dioxobutoxy)-3,6,9-tris(methylene)-8alpha-(beta-D-glucopyranosyloxy)azuleno[4,5-b]furan-2(3H)-one C27H36O12 552.221 InChIKey=XDAZDQCYXFAYEX-YTUTUHIYSA-N No Yes
10058 (3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside (3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside (3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside C21H30O9 426.189 InChIKey=ALFNDZUCKXOXII-ISLKSCFNSA-N No Yes
10063 Magnolialide Magnolialide Magnolialide C15H20O3 248.141 InChIKey=STUGAIDUQVESQE-WJNVRWDZSA-N No Yes
10064 Nardoguaianone J Nardoguaianone J Nardoguaianone J C15H22O2 234.162 InChIKey=FTRAYGSWEQETHN-MEBBXXQBSA-N No Yes
10065 Nardoguaianone K Nardoguaianone K Nardoguaianone K C15H22O2 234.162 InChIKey=FTRAYGSWEQETHN-BMIGLBTASA-N No Yes
10066 Kanshone F Kanshone F Kanshone F C20H30O3 318.219 InChIKey=PTYVAENMFGJFCK-JZPXUEKVSA-N No Yes
10067 Kanshone G Kanshone G Kanshone G C15H24O2 236.178 InChIKey=ZJIVEFDADFTLMI-ULWTYWRYSA-N No Yes
10068 Charminarone Charminarone Charminarone C15H16O5 276.100 InChIKey=DIYPTDBVYZKTMN-CYBMUJFWSA-N No Yes
10069 Cuminoside A Cuminoside A Cuminoside A C21H30O8 410.194 InChIKey=WHKZFBZPPKMCMS-OLWLSHKLSA-N No Yes
10070 (1S,5S,6S,10S)-10-Hydroxyguaia-3,7(11)-dien-12,6-olide (1S,5S,6S,10S)-10-Hydroxyguaia-3,7(11)-dien-12,6-olide (1S,5S,6S,10S)-10-Hydroxyguaia-3,7(11)-dien-12,6-olide C15H20O3 248.141 InChIKey=BMROHUVQCZACSK-JLNYLFASSA-N No Yes
10071 Cuminoside B Cuminoside B Cuminoside B C21H32O9 428.205 InChIKey=DJFCYKZFNVNTAZ-MSBWIKLUSA-N No Yes
10072 (1R,5R,6S,7S,9S,10S,11R)-1,9-Dihydroxyeudesm-3-en-12,6-olide (1R,5R,6S,7S,9S,10S,11R)-1,9-Dihydroxyeudesm-3-en-12,6-olide (1R,5R,6S,7S,9S,10S,11R)-1,9-Dihydroxyeudesm-3-en-12,6-olide C15H22O4 266.152 InChIKey=YHKOWVOYBLDKFJ-DEJOPHEWSA-N No Yes
10073 Orientalol E Orientalol E Orientalol E C15H26O3 254.188 InChIKey=JNTOHIOAISZSEJ-XZBVAUNFSA-N No Yes
10074 Orientalol E 6-acetate Orientalol E 6-acetate Orientalol E 6-acetate C17H28O4 296.199 InChIKey=KEVRUILNLFTNJL-NQCBRMCBSA-N No Yes
10075 Orientalol F Orientalol F Orientalol F C15H24O2 236.178 InChIKey=OPAPNRSNRRMTSU-UNQGMJICSA-N No Yes
10076 Alismoxide Alismoxide Alismoxide C15H26O2 238.193 InChIKey=IWQURBSTAIRNAE-LXTVHRRPSA-N No Yes
10077 (3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one (3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one (3aS)-3aalpha,4,5,6-Tetrahydro-1,4beta-dimethyl-7-(1-methyl-1-hydroxyethyl)azulene-2(3H)-one C15H22O2 234.162 InChIKey=GPHOOPDBTHHJLD-CABZTGNLSA-N No Yes
10078 8-Desoxyartelin 8-Desoxyartelin 8-Desoxyartelin C15H18O4 262.121 InChIKey=WCDGXEDYJMJQRX-YGJKOZJRSA-N No Yes
10079 Ixerin Z Ixerin Z Ixerin Z C21H26O9 422.158 InChIKey=DLWWWKUZFJQXQX-XRKRTLBJSA-N No Yes
10080 Sieversol Sieversol Sieversol C22H26O8 418.163 InChIKey=AYCWAZBZIGHZRC-JHHPBUAESA-N No Yes
10081 MEGxp0_001079 MEGxp0_001079 MEGxp0_001079 C17H24O7 340.152 InChIKey=KGGKPXJSOGJLKI-JFURUWDJSA-N No Yes
10082 (3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,5,6,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-6alpha,8beta,9beta-trihydroxyazuleno[4,5-b]furan-2(3H)-one C15H22O5 282.147 InChIKey=RTTCYUITIWZDGT-CLIBZWCDSA-N No Yes
10083 (3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,8,9,9abeta,9balpha-Hexahydro-3beta,6,9-trimethyl-8beta,9beta-dihydroxy-4beta-acetoxyazuleno[4,5-b]furan-2(3H)-one C17H22O6 322.142 InChIKey=UGJBTBFGJQDGTP-JAJXFNKLSA-N No Yes
10084 (3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one (3S)-3abeta,4,5,7,8,9,9abeta,9balpha-Octahydro-3beta,6,9-trimethyl-4beta,7beta,9beta-trihydroxy-8beta-acetoxyazuleno[4,5-b]furan-2(3H)-one C17H24O7 340.152 InChIKey=DPUKTTDVKVUSCJ-GAMGDRKUSA-N No Yes