(3beta,16alpha)-3-((O-beta-D-吡喃半乳糖基-(1-4)-O-6-脱氧-alpha-L-甘露糖基-(1-4)-alpha-L-阿拉伯吡喃糖基)氧基)-16-羟基-齐墩果-12-烯-28-酸
[CAS# 137551-42-9]

基本信息

• 产品名称: (3beta,16alpha)-3-((O-beta-D-吡喃半乳糖基-(1-4)-O-6-脱氧-alpha-L-甘露糖基-(1-4)-alpha-L-阿拉伯吡喃糖基)氧基)-16-羟基-齐墩果-12-烯-28-酸
• 英文名: (3beta,16alpha)-3-((O-beta-D-galactopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-Olean-12-en-28-oic acid
• 别名: (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-5-Hydroxy-10-[(2S,3R,4S,5S)-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-5-Hydroxy-10-[[(2S,3R,4S,5S)-5-Hydroxy-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid; (4Ar,5R,6Ar,6As,6Br,10S,12Ar,14Br)-5-Hydroxy-10-[(2S,3R,4S,5S)-5-Hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
• 分子式: C₄₇H₇₆O₁₇
• 分子量: 913.11
• CAS 登录号: 137551-42-9
• 分子行输入简码 SMILES: [C@@]16([C@]7(C(=CC[C@@H]1[C@@]5(C(C([C@@H](O[C@@H]3OC[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H]3O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)CC5)(C)C)CC6)C)[C@@H]8[C@]([C@H](O)C7)(C(=O)O)CCC(C8)(C)C)C)C
• 国际化学标识码 InChI: 1S/C47H76O17/c1-21-30(51)32(53)34(55)38(60-21)64-37-36(63-39-35(56)33(54)31(52)25(19-48)61-39)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,40-,44-,45+,46+,47+/m0/s1
• 国际化学标识检索码 InChIKey: KIGBZBGUCRFANQ-IEBUKCNUSA-N

物理化学性质

• 密度: 1.399g/cm³ （计算值）
• 沸点: 989.44°C at 760 mmHg （计算值）
• 闪点: 282.7°C （计算值）