齐墩果酸 3-O-beta-吡喃木糖基(1-3)-beta-D-吡喃木糖基(1-4)-alpha L-吡喃鼠李糖基(1-3)-beta-D-吡喃木糖基(1-3)-alpha-L-吡喃鼠李糖基(1-2)-alpha-L-阿拉伯糖吡喃糖苷
[CAS# 141544-44-7]

基本信息

• 产品名称: 齐墩果酸 3-O-beta-吡喃木糖基(1-3)-beta-D-吡喃木糖基(1-4)-alpha L-吡喃鼠李糖基(1-3)-beta-D-吡喃木糖基(1-3)-alpha-L-吡喃鼠李糖基(1-2)-alpha-L-阿拉伯糖吡喃糖苷
• 英文名: Oleanolic acid 3-O-beta-xylopyranosyl(1-3)-beta-D-xylopyranosyl(1-4)-alpha L-rhamnopyranosyl(1-3)-beta-D-xylopyranosyl(1-3)-alpha-L-rhamnopyranosyl(1-2)-alpha-L-arabinopyranoside
• 别名: (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-[(2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-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; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[[(2S,3R,4S,5S)-3-[[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-[[(2R,3R,4S,5R)-3,4,5-Trihydroxy-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; (4As,6Ar,6As,6Br,10S,12Ar,14Br)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-5-Hydroxy-6-Methyl-3,4-Bis[[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy]Oxan-2-Yl]Oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Oxan-2-Yl]Oxy-4-[(2R,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-Oxan-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: C₆₂H₁₀₀O₂₇
• 分子量: 1277.46
• CAS 登录号: 141544-44-7
• 分子行输入简码 SMILES: [C@@]89([C@@H]([C@@]7(C(C([C@@H](O[C@@H]3OC[C@H](O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@H](O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]5O[C@H]([C@H](O)[C@@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]5O[C@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C)CC7)(C)C)CC8)C)CC=C%10[C@]9(CC[C@@]%11([C@@H]%10CC(CC%11)(C)C)C(=O)O)C)C
• 国际化学标识码 InChI: 1S/C62H100O27/c1-25-36(66)41(71)45(75)53(82-25)84-32-24-81-54(85-35-13-14-59(7)33(58(35,5)6)12-15-61(9)34(59)11-10-27-28-20-57(3,4)16-18-62(28,56(76)77)19-17-60(27,61)8)48(46(32)86-50-42(72)38(68)29(63)21-78-50)89-55-49(88-52-44(74)40(70)31(65)23-80-52)47(37(67)26(2)83-55)87-51-43(73)39(69)30(64)22-79-51/h10,25-26,28-55,63-75H,11-24H2,1-9H3,(H,76,77)/t25-,26-,28+,29+,30+,31+,32-,33?,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52+,53-,54-,55-,59-,60+,61+,62-/m0/s1
• 国际化学标识检索码 InChIKey: XSZBTQGGMHECHM-HLSPWTJGSA-N

物理化学性质

• 密度: 1.477g/cm³ （计算值）