记录说明
(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Schottera nicaeensis。
C29H48O
式量由分子式和标准同位素质量计算,412.370516。
(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Schottera nicaeensis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@@]12C)O)C(=C)C
InChIKey
GHGKPLPBPGYSOO-ASERERRFSA-N
IUPAC
(3S,8S,9R,10R,13S,14S,17S)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol