3-[2-[(10R,11S,13S,17R)-11,17-二羟基-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]-2-氧代乙基]硫基丙酸
[CAS# 114967-88-3]

基本信息

• 产品名称: 3-[2-[(10R,11S,13S,17R)-11,17-二羟基-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]-2-氧代乙基]硫基丙酸
• 英文名: 3-[2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl]Sulfanylpropanoic Acid
• 别名: 3-[2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl]Sulfanylpropanoic Acid; 3-[[2-[(10R,11S,13S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl]Thio]Propanoic Acid; 3-[[2-[(10R,11S,13S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl]Thio]Propionic Acid
• 分子式: C₂₄H₃₄O₆S
• 分子量: 450.59
• CAS 登录号: 114967-88-3
• 分子行输入简码 SMILES: [C@]14([C@](O)(CCC1C3C([C@@]2(C(=CC(=O)CC2)CC3)C)[C@@H](O)C4)C(=O)CSCCC(=O)O)C
• 国际化学标识码 InChI: 1S/C24H34O6S/c1-22-8-5-15(25)11-14(22)3-4-16-17-6-9-24(30,19(27)13-31-10-7-20(28)29)23(17,2)12-18(26)21(16)22/h11,16-18,21,26,30H,3-10,12-13H2,1-2H3,(H,28,29)/t16?,17?,18-,21?,22-,23-,24-/m0/s1
• 国际化学标识检索码 InChIKey: XDGQFAAXMMOJNT-YBIJMBQPSA-N

物理化学性质

• 密度: 1.324g/cm³ （计算值）
• 沸点: 663.386°C at 760 mmHg （计算值）
• 闪点: 355.003°C （计算值）