记录说明
[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate 收自 NPASS。关联生物包括 Schottera nicaeensis。
C26H34O8
式量由分子式和标准同位素质量计算,474.225368。
[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate 收自 NPASS。关联生物包括 Schottera nicaeensis。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(=O)O[C@@H]1C[C@@H](C[C@]2(CC[C@@H]3[C@H](CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]12C=O)O)O
InChIKey
RKMAEUSVJAICNS-LYKPKXNDSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(1R,3S,5S,8R,9S,10R,13R,14S,17R)-10-formyl-3,5,14-trihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate