(2S,3R,4R,4aS,5R,7R,8aS)-Rel-八氢-2,7-二羟基-3-((1R)-1-(羟基甲基) 丙基)-4-((2Z)-3-羟基-1-氧代-2-丙烯基)-2,4,5,7-四甲基-1(2H)-萘酮
[CAS# 81210-11-9]

基本信息

• 产品名称: (2S,3R,4R,4aS,5R,7R,8aS)-Rel-八氢-2,7-二羟基-3-((1R)-1-(羟基甲基) 丙基)-4-((2Z)-3-羟基-1-氧代-2-丙烯基)-2,4,5,7-四甲基-1(2H)-萘酮
• 英文名: (2S,3R,4R,4aS,5R,7R,8aS)-Rel-Octahydro-2,7-Dihydroxy-3-((1R)-1-(Hydroxymethyl) Propyl)-4-((2Z)-3-Hydroxy-1-Oxo-2-Propenyl)-2,4,5,7-Tetramethyl-1(2H)-Naphthalenone
• 别名: (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-3-[(1R)-1-(Hydroxymethyl)Propyl]-4-[(Z)-3-Hydroxyprop-2-Enoyl]-2,4,5,7-Tetramethyl-Decalin-1-One; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-3-[(1R)-1-(Hydroxymethyl)Propyl]-4-[(Z)-3-Hydroxy-1-Oxoprop-2-Enyl]-2,4,5,7-Tetramethyl-1-Decalinone; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-[(Z)-3-Hydroxyacryloyl]-2,4,5,7-Tetramethyl-3-[(1R)-1-Methylolpropyl]Decalin-1-One
• 分子式: C₂₁H₃₄O₆
• 分子量: 382.50
• CAS 登录号: 81210-11-9
• 分子行输入简码 SMILES: [C@]1(C([C@@H]2[C@@H]([C@@]([C@H]1[C@@H](CC)CO)(C)C(\C=C/O)=O)[C@@H](C[C@@](C2)(C)O)C)=O)(C)O
• 国际化学标识码 InChI: 1S/C21H34O6/c1-6-13(11-23)17-20(4,15(24)7-8-22)16-12(2)9-19(3,26)10-14(16)18(25)21(17,5)27/h7-8,12-14,16-17,22-23,26-27H,6,9-11H2,1-5H3/b8-7-/t12-,13+,14+,16+,17-,19-,20-,21+/m1/s1
• 国际化学标识检索码 InChIKey: YRECHDUAXCBBOZ-HOCCXODSSA-N

物理化学性质

• 密度: 1.162g/cm³ （计算值）
• 沸点: 560.925°C at 760 mmHg （计算值）
• 闪点: 307.091°C （计算值）