记录说明
(10~{R},13~{R},17~{R})-17-[(1~{R})-3-(3,3-dimethyloxiran-2-yl)-1-methyl-propyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 收自 NPASS。关联生物包括 Dichotomaria marginata。
C27H42O3
式量由分子式和标准同位素质量计算,414.313395。
(10~{R},13~{R},17~{R})-17-[(1~{R})-3-(3,3-dimethyloxiran-2-yl)-1-methyl-propyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 收自 NPASS。关联生物包括 Dichotomaria marginata。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C[C@H](CCC1OC1(C)C)[C@H]1CCC2C3CC(O)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
InChIKey
KCQPCCFLWJWOMT-HYLDQPDMSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(10~{R},13~{R},17~{R})-17-[(1~{R})-3-(3,3-dimethyloxiran-2-yl)-1-methyl-propyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one