记录说明
(2R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R,22S)-16-hydroperoxy-21-hydroxy-22-methoxy-5,13,20,25-tetramethyl-9-methylidene-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19 收自 NPASS。关联生物包括 Ptilonia magellanica。
C31H34O8
式量由分子式和标准同位素质量计算,534.225368。
(2R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R,22S)-16-hydroperoxy-21-hydroxy-22-methoxy-5,13,20,25-tetramethyl-9-methylidene-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19 收自 NPASS。关联生物包括 Ptilonia magellanica。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
C=C1[C@H]2C[C@H]2[C@@]2(C)[C@H]1CC1=C(C)C(=O)O[C@@]31[C@H]2C[C@@]1([C@H]2C[C@H]2[C@@]2(C)C1=C3C1=C(C)C(=O)O[C@@]1([C@@H]2O)OC)OO
InChIKey
OZSJWRKCHCLVIP-FTBTWKQCSA-N
CAS:这里用的两张来源表里没有。
IUPAC
(2R,8S,10S,12R,13S,14S,16S,17S,19R,20S,21R,22S)-16-hydroperoxy-21-hydroxy-22-methoxy-5,13,20,25-tetramethyl-9-methylidene-3,23-dioxanonacyclo[14.10.1.02,6.02,14.08,13.010,12.017,19.020,27.022,26]heptacosa-1(27),5,25-triene-4,24-dione