白头翁甙 C
[CAS# 57539-70-5]

基本信息

• 产品名称: 白头翁甙 C
• 英文名: Pulsatiloside C
• 别名: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] (4As,6Ar,6As,6Br,8Ar,9R,10S,12Ar,14Bs)-10-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylate; (4As,6Ar,6As,6Br,8Ar,9R,10S,12Ar,14Bs)-10-Hydroxy-9-(Hydroxymethyl)-2,2,6A,6B,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl] Ester; (4As,6Ar,6As,6Br,8Ar,9R,10S,12Ar,14Bs)-10-Hydroxy-2,2,6A,6B,9,12A-Hexamethyl-9-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl] Ester
• 分子式: C₄₈H₇₈O₁₈
• 分子量: 943.13
• CAS 登录号: 57539-70-5
• 分子行输入简码 SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CC[C@@H]([C@]([C@@H]1CC[C@@]23C)(CO)C)O)C)[C@@H]4CC(C)(C)CC[C@@]4(CC5)C(O[C@H]6[C@@H]([C@@H](O)[C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H](O)[C@H]([C@@H](O8)C)O)O)O)O)O)=O)C
• 国际化学标识码 InChI: 1S/C48H78O18/c1-22-30(52)32(54)35(57)40(62-22)65-38-25(19-49)63-39(37(59)34(38)56)61-20-26-31(53)33(55)36(58)41(64-26)66-42(60)48-16-14-43(2,3)18-24(48)23-8-9-28-44(4)12-11-29(51)45(5,21-50)27(44)10-13-47(28,7)46(23,6)15-17-48/h8,22,24-41,49-59H,9-21H2,1-7H3/t22-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
• 国际化学标识检索码 InChIKey: YGSBJLPWANWGED-HYXYOFMCSA-N

物理化学性质

• 密度: 1.417g/cm³ （计算值）
• 沸点: 1001.691°C at 760 mmHg （计算值）
• 闪点: 283.907°C （计算值）