记录说明
(5~{S},10~{R},11~{S},13~{S})-11-hydroxy-17-[(~{E})-1-hydroxy-1,3,5-trimethyl-hex-2-enyl]-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one 收自 NPASS。关联生物包括 Hypnea musciformis。
C28H44O3
式量由分子式和标准同位素质量计算,428.329045。
(5~{S},10~{R},11~{S},13~{S})-11-hydroxy-17-[(~{E})-1-hydroxy-1,3,5-trimethyl-hex-2-enyl]-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one 收自 NPASS。关联生物包括 Hypnea musciformis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C/C(=C\C(C)(O)C1CCC2C3C(=O)C[C@@H]4CCC=C[C@]4(C)C3[C@@H](O)C[C@@]21C)CC(C)C
InChIKey
JUCMOUIPZMOWPI-GJAYEIRKSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(5~{S},10~{R},11~{S},13~{S})-11-hydroxy-17-[(~{E})-1-hydroxy-1,3,5-trimethyl-hex-2-enyl]-10,13-dimethyl-3,4,5,6,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one