记录说明
(1R,2R,3R,5S,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthr 收自 NPASS。关联生物包括 Delisea pulchra。
C27H44O8
式量由分子式和标准同位素质量计算,496.303618。
(1R,2R,3R,5S,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthr 收自 NPASS。关联生物包括 Delisea pulchra。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(C)(CC[C@H]([C@@](C)([C@H]1CC[C@]2(C3=CC(=O)[C@H]4C[C@H]([C@H]([C@@H]([C@]4(C)[C@H]3CC[C@]12C)O)O)O)O)O)O)O
InChIKey
VJRBXZFHKYDEQV-HQUJPYTBSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(1R,2R,3R,5S,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one