3-[(7R,8R,9S,10R,13S,14S)-7-乙酰基硫基-17-羟基-10,13-二甲基-3-氧代-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊二烯并[a]菲-17-基]丙酸, 1-萘-1-基氧基-3-(丙-2-基氨基)丙-2-醇
[CAS# 138230-23-6]

基本信息

• 产品名称: 3-[(7R,8R,9S,10R,13S,14S)-7-乙酰基硫基-17-羟基-10,13-二甲基-3-氧代-2,6,7,8,9,11,12,14,15,16-十氢-1H-环戊二烯并[a]菲-17-基]丙酸, 1-萘-1-基氧基-3-(丙-2-基氨基)丙-2-醇
• 英文名: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Propanoic Acid, 1-Naphthalen-1-Yloxy-3-(Propan-2-Ylamino)Propan-2-Ol
• 别名: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol
• 分子式: C₄₀H₅₅NO₇S
• 分子量: 693.94
• CAS 登录号: 138230-23-6
• 分子行输入简码 SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)CCC(=O)O)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4SC(=O)C)C)C.C5=CC=CC6=CC=CC(=C56)OCC(O)CNC(C)C
• 国际化学标识码 InChI: 1S/C24H34O5S.C16H21NO2/c1-14(25)30-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23,29)11-7-20(27)28;1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);3-9,12,14,17-18H,10-11H2,1-2H3/t17-,18-,19+,21+,22-,23-,24?;/m0./s1
• 国际化学标识检索码 InChIKey: YTYUCAQFELYLJP-ATJCWOKCSA-N

物理化学性质

• 沸点: 618.3°C at 760 mmHg （计算值）
• 闪点: 327.7°C （计算值）