西加小冠花甙
[CAS# 15001-93-1]

基本信息

• 产品名称: 西加小冠花甙
• 英文名: Hyrcanoside
• 别名: (3S,8R,9S,10S,13R,14S)-3-[3,4-Dihydroxy-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,8R,9S,10S,13R,14S)-3-[[3,4-Dihydroxy-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,8R,9S,10S,13R,14S)-3-[3,4-Dihydroxy-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-1,2,3,6,7,8,9,11,12,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• 分子式: C₃₄H₄₈O₁₄
• 分子量: 680.74
• CAS 登录号: 15001-93-1
• 分子行输入简码 SMILES: [C@H]1(C=C5[C@](C=O)(CC1)[C@H]4CC[C@@]3(C(C2=CC(OC2)=O)CC[C@@]3([C@@H]4CC5)O)C)OC7OCC(OC6C(O)C(O)C(O)C(O6)CO)C(C7O)O
• 国际化学标识码 InChI: 1S/C34H48O14/c1-32-7-5-20-21(34(32,43)9-6-19(32)16-10-24(37)44-13-16)3-2-17-11-18(4-8-33(17,20)15-36)46-30-28(41)26(39)23(14-45-30)48-31-29(42)27(40)25(38)22(12-35)47-31/h10-11,15,18-23,25-31,35,38-43H,2-9,12-14H2,1H3/t18-,19?,20-,21+,22?,23?,25?,26?,27?,28?,29?,30?,31?,32+,33+,34-/m0/s1
• 国际化学标识检索码 InChIKey: HFXNSSUZFCOFIY-JJRUEEJWSA-N

物理化学性质

• 密度: 1.508g/cm³ （计算值）
• 沸点: 919.591°C at 760 mmHg （计算值）
• 闪点: 289.881°C （计算值）