(2S,4aa,8ab)-3,4,4a,5,6,7,8,8a-八氢-2,7b-二羟基-4a-(3-羟基-1-氧代丙基)-2,4b,5a,7a-四甲基-3a-[(R)-1-甲基丙基]-1(2H)-萘酮
[CAS# 85269-23-4]

基本信息

• 产品名称: (2S,4aa,8ab)-3,4,4a,5,6,7,8,8a-八氢-2,7b-二羟基-4a-(3-羟基-1-氧代丙基)-2,4b,5a,7a-四甲基-3a-[(R)-1-甲基丙基]-1(2H)-萘酮
• 英文名: (2S,4aa,8ab)-3,4,4a,5,6,7,8,8a-Octahydro-2,7b-Dihydroxy-4a-(3-Hydroxy-1-Oxopropyl)-2,4b,5a,7a-Tetramethyl-3a-[(R)-1-Methylpropyl]-1(2H)-Naphthalenone
• 别名: (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-(3-Hydroxypropanoyl)-2,4,5,7-Tetramethyl-3-Sec-Butyl-Decalin-1-One; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-(3-Hydroxy-1-Oxopropyl)-2,4,5,7-Tetramethyl-3-Sec-Butyl-1-Decalinone; 1(2H)-Naphthalenone, Octahydro-2,7-Dihydroxy-4-(3-Hydroxy-1-Oxopropyl)-2,4,5,7-Tetramethyl-3-((1R)-1-Methylpropyl)-, (2S,3R,4R,4As,5R,7R,8As)-
• 分子式: C₂₁H₃₆O₅
• 分子量: 368.51
• CAS 登录号: 85269-23-4
• 分子行输入简码 SMILES: [C@]1(C([C@@H]2[C@@H]([C@@]([C@H]1[C@@H](CC)C)(C)C(CCO)=O)[C@@H](C[C@@](C2)(C)O)C)=O)(C)O
• 国际化学标识码 InChI: 1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
• 国际化学标识检索码 InChIKey: PUZNAAVWFXQUDM-HBKHSIGZSA-N

物理化学性质

• 密度: 1.09g/cm³ （计算值）
• 沸点: 517.129°C at 760 mmHg （计算值）
• 闪点: 280.633°C （计算值）