[(10R,12S,13S,17S)-17-乙酰基-10,13-二甲基-3-氧代-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-12-基]4-[[(2S)-3-(4-羟基苯基)-1-甲氧基-1-氧代丙烷-2-基]氨基]-4-氧代丁酸酯
[CAS# 110988-79-9]

基本信息

• 产品名称: [(10R,12S,13S,17S)-17-乙酰基-10,13-二甲基-3-氧代-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-12-基]4-[[(2S)-3-(4-羟基苯基)-1-甲氧基-1-氧代丙烷-2-基]氨基]-4-氧代丁酸酯
• 英文名: [(10R,12S,13S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-12-Yl] 4-[[(2S)-3-(4-Hydroxyphenyl)-1-Methoxy-1-Oxopropan-2-Yl]Amino]-4-Oxobutanoate
• 别名: [(10R,12S,13S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] 4-[[(1S)-1-[(4-Hydroxyphenyl)Methyl]-2-Methoxy-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoate; 4-[[(1S)-1-[(4-Hydroxyphenyl)Methyl]-2-Methoxy-2-Oxoethyl]Amino]-4-Oxobutanoic Acid [(10R,12S,13S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester; 4-[[(1S)-1-(4-Hydroxybenzyl)-2-Keto-2-Methoxy-Ethyl]Amino]-4-Keto-Butyric Acid [(10R,12S,13S,17S)-17-Acetyl-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• 分子式: C₃₅H₄₅NO₈
• 分子量: 607.74
• CAS 登录号: 110988-79-9
• 分子行输入简码 SMILES: [C@H](C(=O)OC)(NC(CCC(=O)O[C@@H]3[C@]4(C(C2CCC1=CC(CC[C@@]1(C2C3)C)=O)CC[C@@H]4C(C)=O)C)=O)CC5=CC=C(O)C=C5
• 国际化学标识码 InChI: 1S/C35H45NO8/c1-20(37)26-11-12-27-25-10-7-22-18-24(39)15-16-34(22,2)28(25)19-30(35(26,27)3)44-32(41)14-13-31(40)36-29(33(42)43-4)17-21-5-8-23(38)9-6-21/h5-6,8-9,18,25-30,38H,7,10-17,19H2,1-4H3,(H,36,40)/t25?,26-,27?,28?,29+,30+,34+,35-/m1/s1
• 国际化学标识检索码 InChIKey: QDRIHLHORYETQU-YXGNROOXSA-N

物理化学性质

• 密度: 1.255g/cm³ （计算值）
• 沸点: 788.393°C at 760 mmHg （计算值）
• 闪点: 430.605°C （计算值）