3b-[[3-O,4-O-(1-甲基-4-己烯亚基)-2,6-二脱氧-beta-D-核-己糖吡喃糖苷]氧基]-5,14-二羟基-19-氧代-5b-心甾-20(22)-烯内酯
[CAS# 40279-51-4]

基本信息

• 产品名称: 3b-[[3-O,4-O-(1-甲基-4-己烯亚基)-2,6-二脱氧-beta-D-核-己糖吡喃糖苷]氧基]-5,14-二羟基-19-氧代-5b-心甾-20(22)-烯内酯
• 英文名: 3b-[[3-O,4-O-(1-Methyl-4-Hexenylidene)-2,6-Dideoxy-beta-D-Ribo-Hexopyranosyl]Oxy]-5,14-Dihydroxy-19-Oxo-5b-Card-20(22)-Enolide
• 别名: (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-2,4-Dimethyl-2-[(E)-Pent-3-Enyl]-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-2,4-Dimethyl-2-[(E)-Pent-3-Enyl]-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; Fg 798
• 分子式: C₃₆H₅₂O₉
• 分子量: 628.80
• CAS 登录号: 40279-51-4
• 分子行输入简码 SMILES: [C@@]56(O)C1C([C@@]4([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC(OC2C3)(CC\C=C\C)C)C)CC4)C=O)CC[C@@]5([C@H](CC6)C7=CC(OC7)=O)C
• 国际化学标识码 InChI: 1S/C36H52O9/c1-5-6-7-12-33(4)44-28-18-30(42-22(2)31(28)45-33)43-24-8-14-34(21-37)26-9-13-32(3)25(23-17-29(38)41-20-23)11-16-36(32,40)27(26)10-15-35(34,39)19-24/h5-6,17,21-22,24-28,30-31,39-40H,7-16,18-20H2,1-4H3/b6-5+/t22?,24-,25-,26?,27?,28?,30+,31-,32-,33?,34+,35+,36+/m1/s1
• 国际化学标识检索码 InChIKey: SVERRFDYBOELPT-LSNMHXFASA-N

物理化学性质

• 密度: 1.269g/cm³ （计算值）
• 沸点: 744.476°C at 760 mmHg （计算值）
• 闪点: 228.846°C （计算值）