记录说明
17-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Galaxaura marginata。
C27H44O3
式量由分子式和标准同位素质量计算,416.329045。
17-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol 收自 NPASS。关联生物包括 Galaxaura 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)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C)OO
InChIKey
UEYFSWJEKNBMRD-PXVQEJBRSA-N
CAS:这里用的两张来源表里没有。
IUPAC
17-[(1~{R})-4-hydroperoxy-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol