(3S)-5beta,6alpha,7alpha-三乙酰氧基-3aalpha,4,4a,5,6,7,7aalpha,8,9,9aalpha-十氢-3beta,4abeta,8alpha-三甲基薁并[6,5-b]呋喃-2(3H)-酮
[CAS# 62121-29-3]

基本信息

• 产品名称: (3S)-5beta,6alpha,7alpha-三乙酰氧基-3aalpha,4,4a,5,6,7,7aalpha,8,9,9aalpha-十氢-3beta,4abeta,8alpha-三甲基薁并[6,5-b]呋喃-2(3H)-酮
• 英文名: (3S)-5beta,6alpha,7alpha-Triacetoxy-3aalpha,4,4a,5,6,7,7aalpha,8,9,9aalpha-Decahydro-3beta,4abeta,8alpha-Trimethylazuleno[6,5-b]Furan-2(3H)-One
• 别名: [(1S,3Ar,5R,5As,6R,7R,8R,8As,9Ar)-6,7-Diacetoxy-1,5,8A-Trimethyl-2-Oxo-1,3A,4,5,5A,6,7,8,9,9A-Decahydroazuleno[6,7-B]Furan-8-Yl] Acetate; Acetic Acid [(1S,3Ar,5R,5As,6R,7R,8R,8As,9Ar)-6,7-Diacetoxy-1,5,8A-Trimethyl-2-Oxo-1,3A,4,5,5A,6,7,8,9,9A-Decahydroazuleno[6,7-B]Furan-8-Yl] Ester; Acetic Acid [(1S,3Ar,5R,5As,6R,7R,8R,8As,9Ar)-6,7-Diacetoxy-2-Keto-1,5,8A-Trimethyl-1,3A,4,5,5A,6,7,8,9,9A-Decahydroazuleno[7,6-D]Furan-8-Yl] Ester
• 分子式: C₂₁H₃₀O₈
• 分子量: 410.46
• CAS 登录号: 62121-29-3
• 分子行输入简码 SMILES: [C@]13([C@H]([C@H](OC(=O)C)[C@@H]([C@H]1[C@@H](C[C@H]2OC([C@H]([C@H]2C3)C)=O)C)OC(=O)C)OC(=O)C)C
• 国际化学标识码 InChI: 1S/C21H30O8/c1-9-7-15-14(10(2)20(25)29-15)8-21(6)16(9)17(26-11(3)22)18(27-12(4)23)19(21)28-13(5)24/h9-10,14-19H,7-8H2,1-6H3/t9-,10+,14-,15-,16-,17-,18-,19+,21+/m1/s1
• 国际化学标识检索码 InChIKey: XUCKYCQJMPCOTH-TZCKWNCHSA-N

物理化学性质

• 密度: 1.227g/cm³ （计算值）
• 沸点: 485.87°C at 760 mmHg （计算值）
• 闪点: 209.01°C （计算值）