(3aS,9bbeta)-十二氢-6alpha-乙酰氧基甲基-6abeta-羟基-9aalpha-甲基-3-亚甲基薁并[4,5-b]呋喃-2,9-二酮
[CAS 22621-72-3]

基本信息

• 产品名称: (3aS,9bbeta)-十二氢-6alpha-乙酰氧基甲基-6abeta-羟基-9aalpha-甲基-3-亚甲基薁并[4,5-b]呋喃-2,9-二酮
• 英文名: (3aS,9bbeta)-Dodecahydro-6alpha-Acetoxymethyl-6abeta-Hydroxy-9aalpha-Methyl-3-Methyleneazuleno[4,5-b]Furan-2,9-Dione
• 别名: [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-9A-Methyl-3-Methylene-2,9-Dioxo-4,5,6,7,8,9B-Hexahydro-3Ah-Azuleno[8,7-B]Furan-6-Yl]Methyl Acetate; Acetic Acid [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-9A-Methyl-3-Methylene-2,9-Dioxo-4,5,6,7,8,9B-Hexahydro-3Ah-Azuleno[8,7-B]Furan-6-Yl]Methyl Ester; Acetic Acid [(3As,6R,6Ar,9As,9Br)-6A-Hydroxy-2,9-Diketo-9A-Methyl-3-Methylene-4,5,6,7,8,9B-Hexahydro-3Ah-Azuleno[7,8-D]Furan-6-Yl]Methyl Ester
• 分子式: C₁₇H₂₂O₆
• 分子量: 322.36
• CAS 登录号: 22621-72-3
• 分子行输入简码 SMILES: [C@@]23([C@@H]1OC(=O)C([C@@H]1CC[C@@H]([C@@]2(CCC3=O)O)COC(=O)C)=C)C
• 国际化学标识码 InChI: 1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
• 国际化学标识检索码 InChIKey: DKYQYDPTWYXAFT-BEANVFONSA-N

物理化学性质

• 密度: 1.286g/cm³ （计算值）
• 沸点: 501.995°C at 760 mmHg （计算值）
• 闪点: 182.148°C （计算值）