3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-10,13-二甲基-3-氧代-7,8,9,11,12,14,15,16-八氢-6H-环戊二烯并[a]菲-17-基]-2-氧代乙氧基]羰基苯磺酸
[CAS# 39175-74-1]

基本信息

• 产品名称: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-二羟基-10,13-二甲基-3-氧代-7,8,9,11,12,14,15,16-八氢-6H-环戊二烯并[a]菲-17-基]-2-氧代乙氧基]羰基苯磺酸
• 英文名: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethoxy]Carbonylbenzenesulfonic Acid
• 别名: 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethoxy]Carbonylbenzenesulfonic Acid; 3-[[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethoxy]-Oxomethyl]Benzenesulfonic Acid; 3-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethoxy]Carbonylbenzenesulfonic Acid
• 分子式: C₂₈H₃₂O₉S
• 分子量: 544.62
• CAS 登录号: 39175-74-1
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)C5=CC(=CC=C5)[S](=O)(=O)O)C
• 国际化学标识码 InChI: 1S/C28H32O9S/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36)/t20-,21-,22-,24+,26-,27-,28-/m0/s1
• 国际化学标识检索码 InChIKey: WVKSUFYQOHQCMM-YGZHYJPASA-N

物理化学性质

• 密度: 1.47g/cm³ （计算值）