海杧果碱
[CAS# 25633-33-4]

基本信息

• 产品名称: 海杧果碱
• 英文名: Cerberin
• 别名: [(3R,6R)-5-Hydroxy-6-[[(3R,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Methoxy-2-Methyl-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(3R,6R)-5-Hydroxy-6-[[(3R,5R,10S,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Methoxy-2-Methyl-3-Tetrahydropyranyl] Ester; Acetic Acid [(3R,6R)-5-Hydroxy-6-[[(3R,5R,10S,13R,14S,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-4-Methoxy-2-Methyl-Tetrahydropyran-3-Yl] Ester
• 分子式: C₃₂H₄₈O₉
• 分子量: 576.73
• CAS 登录号: 25633-33-4
• 分子行输入简码 SMILES: [C@@]45(O)C1C([C@@]3([C@H](CC1)C[C@H](O[C@@H]2OC([C@@H](OC(=O)C)C(OC)C2O)C)CC3)C)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• 国际化学标识码 InChI: 1S/C32H48O9/c1-17-27(40-18(2)33)28(37-5)26(35)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17?,20-,21-,22-,23?,24?,26?,27-,28?,29+,30+,31-,32+/m1/s1
• 国际化学标识检索码 InChIKey: WSAWDNPGMCYQEI-TUVPHVQISA-N

物理化学性质

• 密度: 1.261g/cm³ （计算值）
• 沸点: 693.669°C at 760 mmHg （计算值）
• 闪点: 217.166°C （计算值）