记录说明
[(3S,5R,6R,8S,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1 收自 NPASS。关联生物包括 Lenormandia smithiae。
C34H53NO7
式量由分子式和标准同位素质量计算,587.382203。
[(3S,5R,6R,8S,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1 收自 NPASS。关联生物包括 Lenormandia smithiae。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=C(C)CC(=O)O[C@H]1[C@H]2[C@@H](C[C@H]([C@@H]3C[C@H](CC[C@]23C)N(C)C)OC(=O)C)[C@@H]2CC[C@H](C(=O)C)[C@@]2(C)[C@@H]1OC(=O)C)C
InChIKey
STJUZAYVLDHPNV-KOVWATGBSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(3S,5R,6R,8S,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-6,12-diacetyloxy-3-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-11-yl] 3,4-dimethylpent-3-enoate