记录说明
(6~{R},10~{R},13~{R},17~{R})-17-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-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。
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-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-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(C)C(CC[C@@H](C)[C@H]1CCC2C3C[C@@H](O)C4=CC(=O)CC[C@]4(C)C3CC[C@@]21C)OO
InChIKey
ZCYAJVHKULICIB-KSQAQYOISA-N
CAS:这里用的两张来源表里没有。
IUPAC
(6~{R},10~{R},13~{R},17~{R})-17-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one