记录说明
(6~{R},10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-5-hydroperoxy-1,5-dimethyl-hex-3-enyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-on 收自 NPASS。关联生物包括 Dichotomaria marginata。
C27H42O4
式量由分子式和标准同位素质量计算,430.308310。
(6~{R},10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-5-hydroperoxy-1,5-dimethyl-hex-3-enyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-on 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](C/C=C/C(C)(C)OO)[C@H]1CCC2C3C[C@@H](O)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
InChIKey
QQEUWBZMBRKWBL-ZAWWSYOISA-N
CAS:这里用的两张来源表里没有。
IUPAC
(6~{R},10~{R},13~{R},17~{R})-17-[(~{E},1~{R})-5-hydroperoxy-1,5-dimethyl-hex-3-enyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one