苦楝子三醇
[CAS# 25278-95-9]

基本信息

• 产品名称: 苦楝子三醇
• 英文名: Meliantriol
• 别名: (1S)-1-[(2R,4S,5R)-5-Hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Tetrahydrofuran-2-Yl]-2-Methyl-Propane-1,2-Diol; (1S)-1-[(2R,4S,5R)-5-Hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Tetrahydrofuranyl]-2-Methylpropane-1,2-Diol; (1S)-1-[(2R,4S,5R)-5-Hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-Hydroxy-4,4,10,13,14-Pentamethyl-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Oxolan-2-Yl]-2-Methyl-Propane-1,2-Diol
• 分子式: C₃₀H₅₀O₅
• 分子量: 490.72
• CAS 登录号: 25278-95-9
• 分子行输入简码 SMILES: [C@@]24([C@@](C1=CCC3[C@@]([C@H]1CC2)(CC[C@H](O)C3(C)C)C)(CC[C@@H]4[C@H]5[C@@H](O[C@H](C5)[C@H](O)C(O)(C)C)O)C)C
• 国际化学标识码 InChI: 1S/C30H50O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19-,21+,22?,23-,24-,25+,28+,29-,30+/m0/s1
• 国际化学标识检索码 InChIKey: IKJQENAHDRKFKL-DOXXCBKDSA-N

物理化学性质

• 密度: 1.167g/cm³ （计算值）
• 沸点: 620.598°C at 760 mmHg （计算值）
• 闪点: 329.126°C （计算值）