败酱皂甙
[CAS# 53962-20-2]

基本信息

• 产品名称: 败酱皂甙
• 英文名: Patrinoside
• 别名: [(1S,4As,6S,7S,7As)-6-Hydroxy-7-(Hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] 3-Methylbutanoate; 3-Methylbutanoic Acid [(1S,4As,6S,7S,7As)-6-Hydroxy-7-(Hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester; 3-Methylbutyric Acid [(1S,4As,6S,7S,7As)-6-Hydroxy-7-Methylol-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester
• 分子式: C₂₁H₃₄O₁₁
• 分子量: 462.49
• CAS 登录号: 53962-20-2
• 分子行输入简码 SMILES: [C@H]13[C@H]([C@H](OC(=O)CC(C)C)OC=C1CO[C@H]2[C@@H]([C@@H](O)[C@@H]([C@H](O2)CO)O)O)[C@@H](CO)[C@H](C3)O
• 国际化学标识码 InChI: 1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1
• 国际化学标识检索码 InChIKey: BGDMXWQJUGENQP-QPCLWJSESA-N

物理化学性质

• 密度: 1.435g/cm³ （计算值）
• 沸点: 675.586°C at 760 mmHg （计算值）
• 闪点: 230.317°C （计算值）