(1R,4aR,10aS)-5-羟基-1-(羟基甲基)-8-甲氧基-1,4a-二甲基-7-丙-2-基-4,9,10,10a-四氢-3H-菲-2-酮
[CAS# 110187-23-0]

基本信息

• 产品名称: (1R,4aR,10aS)-5-羟基-1-(羟基甲基)-8-甲氧基-1,4a-二甲基-7-丙-2-基-4,9,10,10a-四氢-3H-菲-2-酮
• 英文名: (1R,4aR,10aS)-5-Hydroxy-1-(Hydroxymethyl)-8-Methoxy-1,4a-Dimethyl-7-Propan-2-Yl-4,9,10,10a-Tetrahydro-3H-Phenanthren-2-One
• 别名: (1R,4Ar,10As)-5-Hydroxy-1-(Hydroxymethyl)-7-Isopropyl-8-Methoxy-1,4A-Dimethyl-4,9,10,10A-Tetrahydro-3H-Phenanthren-2-One; (1R,4Ar,10As)-5-Hydroxy-7-Isopropyl-8-Methoxy-1,4A-Dimethyl-1-Methylol-4,9,10,10A-Tetrahydro-3H-Phenanthren-2-One; 2(1H)-Phenanthrenone, 3,4,4A,9,10,10A-Hexahydro-5-Hydroxy-1-(Hydroxymethyl)-8-Methoxy-1,4A-Dimethyl-7-(1-Methylethyl)-, (1R-(1Alpha,4Aalpha,10Abeta))-
• 分子式: C₂₁H₃₀O₄
• 分子量: 346.47
• CAS 登录号: 110187-23-0
• 分子行输入简码 SMILES: [C@]2(C(CC[C@]3(C1=C(C(=C(C=C1O)C(C)C)OC)CC[C@H]23)C)=O)(C)CO
• 国际化学标识码 InChI: 1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m0/s1
• 国际化学标识检索码 InChIKey: XGRBHDJWRPUKMD-DQLDELGASA-N

物理化学性质

• 密度: 1.121g/cm³ （计算值）
• 沸点: 529.553°C at 760 mmHg （计算值）
• 闪点: 183.368°C （计算值）