(3beta,4alpha,11alpha,16alpha)-16,23,28-三羟基-11-甲氧基齐墩果-12-烯-3-基 O-beta-D-吡喃葡萄糖基-(1-2)-O-(beta-D-吡喃葡萄糖基-(1-3))-6-脱氧-beta-D-吡喃半乳糖苷
[CAS# 146519-04-2]

基本信息

• 产品名称: (3beta,4alpha,11alpha,16alpha)-16,23,28-三羟基-11-甲氧基齐墩果-12-烯-3-基 O-beta-D-吡喃葡萄糖基-(1-2)-O-(beta-D-吡喃葡萄糖基-(1-3))-6-脱氧-beta-D-吡喃半乳糖苷
• 英文名: (3beta,4alpha,11alpha,16alpha)-16,23,28-Trihydroxy-11-methoxyolean-12-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-6-deoxy-beta-D-Galactopyranoside
• 别名: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(4R,4Ar,6Ar,6Bs,8R,8As,12As,14R,14Ar,14Bs)-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-14-Methoxy-4,6A,6B,11,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-5-Hydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(4R,4Ar,6Ar,6Bs,8R,8As,12As,14R,14Ar,14Bs)-8-Hydroxy-4,8A-Bis(Hydroxymethyl)-14-Methoxy-4,6A,6B,11,11,14B-Hexamethyl-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-5-Hydroxy-6-Methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(4R,4Ar,6Ar,6Bs,8R,8As,12As,14R,14Ar,14Bs)-8-Hydroxy-14-Methoxy-4,6A,6B,11,11,14B-Hexamethyl-4,8A-Dimethylol-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-Tetradecahydropicen-3-Yl]Oxy]-5-Hydroxy-6-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• 分子式: C₄₉H₈₂O₁₉
• 分子量: 975.18
• CAS 登录号: 146519-04-2
• 分子行输入简码 SMILES: [C@@H]14[C@]([C@]2(C(=C[C@H]1OC)[C@H]3[C@@]([C@H](O)C2)(CCC(C3)(C)C)CO)C)(CC[C@@H]8[C@@]4(CCC(O[C@@H]6O[C@@H]([C@H](O)[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C)[C@]8(CO)C)C)C
• 国际化学标识码 InChI: 1S/C49H82O19/c1-22-31(55)38(67-41-36(60)34(58)32(56)26(18-50)64-41)39(68-42-37(61)35(59)33(57)27(19-51)65-42)43(63-22)66-30-10-11-45(4)28(46(30,5)20-52)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-53)29(54)17-48(23,47)7/h15,22,24-43,50-61H,9-14,16-21H2,1-8H3/t22-,24+,25-,26-,27-,28-,29-,30?,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41+,42+,43+,45+,46+,47-,48-,49-/m1/s1
• 国际化学标识检索码 InChIKey: OZPOGANASPSVJC-UWJQEIADSA-N

物理化学性质

• 密度: 1.415g/cm³ （计算值）
• 沸点: 1034.657°C at 760 mmHg （计算值）
• 闪点: 579.54°C （计算值）