记录说明
[(2S,3S,4R,5R,8R,9S,10R,13S,14R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-3-[[(Z)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1 收自 NPASS。关联生物包括 Lenormandia smithiae。
C30H50N2O4
式量由分子式和标准同位素质量计算,502.377058。
[(2S,3S,4R,5R,8R,9S,10R,13S,14R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-3-[[(Z)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1 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(=N[C@H]1[C@H](C[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)O
InChIKey
QDWARQARJPJBNM-RHZDIEHQSA-N
CAS:这里用的两张来源表里没有。
IUPAC
[(2S,3S,4R,5R,8R,9S,10R,13S,14R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-2-hydroxy-10,13-dimethyl-3-[[(Z)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate