N-[(3a,5b)-3-羟基-24-氧代胆烷-24-基]-甘氨酸
[CAS# 474-74-8]

基本信息

• 产品名称: N-[(3a,5b)-3-羟基-24-氧代胆烷-24-基]-甘氨酸
• 英文名: N-[(3a,5b)-3-Hydroxy-24-Oxocholan-24-Yl]- Glycine
• 别名: Sodium 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Acetate; Sodium 2-[[(4R)-4-[(3R,5R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanoate; Glycine, N-((3Alpha,5Beta)-3-Hydroxy-24-Oxocholan-24-Yl)-, Monosodium Salt
• 分子式: C₂₆H₄₂NNaO₄
• 分子量: 455.61
• CAS 登录号: 474-74-8 (24404-83-9)
• 分子行输入简码 SMILES: [C@]34(C(C1C([C@@]2([C@H](CC1)C[C@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC(=O)NCC([O-])=O)C)C.[Na+]
• 国际化学标识码 InChI: 1S/C26H43NO4.Na/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3;/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31);/q;+1/p-1/t16-,17-,18-,19?,20-,21?,22?,25+,26-;/m1./s1
• 国际化学标识检索码 InChIKey: LQKBJAKZKFBLIB-NYTIRPLLSA-M

物理化学性质

• 沸点: 619.7°C at 760 mmHg （计算值）
• 闪点: 328.6°C （计算值）