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
[CAS# 143901-35-3]

Identification

• Name: 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
• Synonyms: 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
• Molecular Formula: C₂₈H₂₈O₈
• Molecular Weight: 492.52
• CAS Registry Number: 143901-35-3
• 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
• 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
• InChIKey: VFTGDXPPYSWBSO-GWNOIRNCSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 622.897°C at 760 mmHg (Cal.)
• Flash point: 205.239°C (Cal.)

References

• (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