记录说明
[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[[(E)-2-methylbut-2-enoyl]amino]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth 收自 NPASS。关联生物包括 Lenormandia smithiae。
C30H48N2O3
式量由分子式和标准同位素质量计算,484.366493。
[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[[(E)-2-methylbut-2-enoyl]amino]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanth 收自 NPASS。关联生物包括 Lenormandia smithiae。
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(=NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(=O)C)[C@H](C)N(C)C)O
InChIKey
JQHRCCJAHRMCPT-WUWALIIWSA-N
IUPAC
[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-[[(E)-2-methylbut-2-enoyl]amino]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate