(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-二甲基-3-氧代-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-17-基]氧基]-3,4,5-三羟基四氢吡喃-2-羧酸
[CAS# 1180-25-2]

基本信息

• 产品名称: (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-二甲基-3-氧代-1,2,6,7,8,9,11,12,14,15,16,17-十二氢环戊烯并[a]菲-17-基]氧基]-3,4,5-三羟基四氢吡喃-2-羧酸
• 英文名: (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• 别名: (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl]Oxy]Tetrahydropyran-2-Carboxylic Acid
• 分子式: C₂₅H₃₆O₈
• 分子量: 464.55
• CAS 登录号: 1180-25-2
• 分子行输入简码 SMILES: [C@H]35[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)CC5)C
• 国际化学标识码 InChI: 1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
• 国际化学标识检索码 InChIKey: NIKZPECGCSUSBV-HMAFJQTKSA-N

物理化学性质

• 密度: 1.37g/cm³ （计算值）
• 沸点: 676.963°C at 760 mmHg （计算值）
• 闪点: 228.295°C （计算值）