(1R,2R,3S,3aR,8bS)-1,8b-二羟基-6,8-二甲氧基-3a-(4-甲氧基苯基)-3-苯基-2,3-二氢-1H-环戊并[b][1]苯并呋喃-2-羧酸甲酯
[CAS# 143901-35-3]

基本信息

• 产品名称: (1R,2R,3S,3aR,8bS)-1,8b-二羟基-6,8-二甲氧基-3a-(4-甲氧基苯基)-3-苯基-2,3-二氢-1H-环戊并[b][1]苯并呋喃-2-羧酸甲酯
• 英文名: Methyl (1R,2R,3S,3aR,8bS)-1,8b-Dihydroxy-6,8-Dimethoxy-3a-(4-Methoxyphenyl)-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[b][1]Benzoxole-2-Carboxylate
• 别名: Methyl (1R,2R,3S,3Ar,8Bs)-1,8B-Dihydroxy-6,8-Dimethoxy-3A-(4-Methoxyphenyl)-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B]Benzofuran-2-Carboxylate; (1R,2R,3S,3Ar,8Bs)-1,8B-Dihydroxy-6,8-Dimethoxy-3A-(4-Methoxyphenyl)-3-Phenyl-2,3-Dihydro-1H-Cyclopenta[B]Benzofuran-2-Carboxylic Acid Methyl Ester; Methyl Rocaglate
• 分子式: C₂₈H₂₈O₈
• 分子量: 492.52
• CAS 登录号: 143901-35-3
• 分子行输入简码 SMILES: [C@]12(OC4=C([C@]1(O)[C@H](O)[C@@H]([C@H]2C3=CC=CC=C3)C(OC)=O)C(=CC(=C4)OC)OC)C5=CC=C(OC)C=C5
• 国际化学标识码 InChI: 1S/C28H28O8/c1-32-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(30)35-4)25(29)27(28,31)24-20(34-3)14-19(33-2)15-21(24)36-28/h5-15,22-23,25,29,31H,1-4H3/t22-,23-,25-,27+,28+/m1/s1
• 国际化学标识检索码 InChIKey: VFTGDXPPYSWBSO-GWNOIRNCSA-N

物理化学性质

• 密度: 1.348g/cm³ （计算值）
• 沸点: 622.897°C at 760 mmHg （计算值）
• 闪点: 205.239°C （计算值）

参考文献

• (1): Magnus Philip, Freund Wesley A., Moorhead Eric J., Rainey Trevor. Formal Synthesis of (±)-Methyl Rocaglate Using an Unprecedented Acetyl Bromide Mediated Nazarov Reaction, Journal of the American Chemical Society, 2012