记录说明
(10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6-dione 收自 NPASS。关联生物包括 Hypnea musciformis。
C27H42O2
式量由分子式和标准同位素质量计算,398.318481。
(10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6-dione 收自 NPASS。关联生物包括 Hypnea musciformis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(C)C/C=C/[C@@H](C)[C@H]1CCC2C3CC(=O)C4CC(=O)CC[C@]4(C)C3CC[C@@]21C
InChIKey
XVAXPYFGRPUHGO-MJBBWMQXSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthrene-3,6-dione