记录说明
(3S,5R,7R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol 收自 NPASS。关联生物包括 Laurencia claviformis。
C19H32O3
式量由分子式和标准同位素质量计算,308.235145。
(3S,5R,7R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol 收自 NPASS。关联生物包括 Laurencia claviformis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@@]12CC[C@H]3[C@H]([C@@H]2C[C@@H](C1)O)[C@@H](C[C@H]1C[C@H](CC[C@]31C)O)O
InChIKey
NJFDVXNNCYQDEC-PDWFGAFOSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(3S,5R,7R,8S,9S,10S,13R,14S,16S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol