记录说明
[(3S,5S,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。
C35H49NO7
式量由分子式和标准同位素质量计算,595.350903。
[(3S,5S,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(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]([C@H]4C[C@H](CC[C@]4(C)[C@H]3[C@@H]([C@H]([C@]12C)OC(=O)C)OC(=O)Cc1ccccc1)N(C)C)OC(=O)C
InChIKey
ATTDURQKMQHLPP-FBBCWWNVSA-N
IUPAC
[(3S,5S,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] 2-phenylacetate