3b-[[3-O,4-O-(3-甲基环己亚基)-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# 40279-45-6]

基本信息

• 产品名称: 3b-[[3-O,4-O-(3-甲基环己亚基)-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-(3-Methylcyclohexylidene)-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)-3',4-Dimethyl-6-Spiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclohexane]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)-3',4-Dimethylspiro[4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-2,1'-Cyclohexane]-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; 3-Methylcyclohexanonhelveticosid [German]
• 分子式: C₃₆H₅₂O₉
• 分子量: 628.80
• CAS 登录号: 40279-45-6
• 分子行输入简码 SMILES: [C@@]67(O)C1C([C@@]5([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC4(OC2C3)CC(CCC4)C)C)CC5)C=O)CC[C@@]6([C@H](CC7)C8=CC(OC8)=O)C
• 国际化学标识码 InChI: 1S/C36H52O9/c1-21-5-4-10-35(17-21)44-28-16-30(42-22(2)31(28)45-35)43-24-6-12-33(20-37)26-7-11-32(3)25(23-15-29(38)41-19-23)9-14-36(32,40)27(26)8-13-34(33,39)18-24/h15,20-22,24-28,30-31,39-40H,4-14,16-19H2,1-3H3/t21?,22?,24-,25-,26?,27?,28?,30+,31-,32-,33+,34+,35?,36+/m1/s1
• 国际化学标识检索码 InChIKey: ZJYGZEAYKCYGPP-ROWVLVQPSA-N

物理化学性质

• 密度: 1.299g/cm³ （计算值）
• 沸点: 764.563°C at 760 mmHg （计算值）
• 闪点: 237.227°C （计算值）