3beta-(alpha-L-吡喃鼠李糖基氧基)-5,14-二羟基-19-氧代-5beta-蟾蜍-20,22-二烯内酯
[CAS# 20300-44-1]

基本信息

• 产品名称: 3beta-(alpha-L-吡喃鼠李糖基氧基)-5,14-二羟基-19-氧代-5beta-蟾蜍-20,22-二烯内酯
• 英文名: 3beta-(alpha-L-Rhamnopyranosyloxy)-5,14-Dihydroxy-19-Oxo-5beta-Bufa-20,22-Dienolide
• 别名: (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-3-[[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,10S,13R,14S,17R)-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-3-[(2S,5S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• 分子式: C₃₀H₄₂O₁₀
• 分子量: 562.66
• CAS 登录号: 20300-44-1
• 分子行输入简码 SMILES: [C@@]13(O)[C@@]([C@H](CC1)C2=COC(=O)C=C2)(CCC4[C@@]6([C@](O)(CCC34)C[C@@H](O[C@H]5OC([C@@H](O)C(O)C5O)C)CC6)C=O)C
• 国际化学标识码 InChI: 1S/C30H42O10/c1-16-23(33)24(34)25(35)26(39-16)40-18-5-10-28(15-31)20-6-9-27(2)19(17-3-4-22(32)38-14-17)8-12-30(27,37)21(20)7-11-29(28,36)13-18/h3-4,14-16,18-21,23-26,33-37H,5-13H2,1-2H3/t16?,18-,19+,20?,21?,23+,24?,25?,26+,27+,28-,29-,30-/m0/s1
• 国际化学标识检索码 InChIKey: HNNFRQFXBWSJBX-YWRJWMALSA-N

物理化学性质

• 密度: 1.413g/cm³ （计算值）
• 沸点: 761.931°C at 760 mmHg （计算值）
• 闪点: 246.967°C （计算值）