记录说明
[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Caloglossa leprieurii。
C37H54O4
式量由分子式和标准同位素质量计算,562.402210。
[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 收自 NPASS。关联生物包括 Caloglossa leprieurii。
学名照录来源库原文,不是重新做的分类鉴定。
SMILES
CC(C)CCCC(C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)/C=C\c1ccc(c(c1)OC)O
InChIKey
CPBQNAKTSMCPNH-MXSZASKGSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate