[(1R,5S,6R,7R,8S)-6-(3,4-Dimethoxyphenyl)-1-Methoxy-7-Methyl-4-Oxo-3-Prop-2-Enyl-8-Bicyclo[3.2.1]Oct-2-Enyl] Acetate
[CAS# 149438-61-9]

Identification

• Name: [(1R,5S,6R,7R,8S)-6-(3,4-Dimethoxyphenyl)-1-Methoxy-7-Methyl-4-Oxo-3-Prop-2-Enyl-8-Bicyclo[3.2.1]Oct-2-Enyl] Acetate
• Synonyms: [(1R,5S,6R,7R,8S)-3-Allyl-6-(3,4-Dimethoxyphenyl)-1-Methoxy-7-Methyl-4-Oxo-8-Bicyclo[3.2.1]Oct-2-Enyl] Acetate; Acetic Acid [(1R,5S,6R,7R,8S)-3-Allyl-6-(3,4-Dimethoxyphenyl)-1-Methoxy-7-Methyl-4-Oxo-8-Bicyclo[3.2.1]Oct-2-Enyl] Ester; Acetic Acid [(1R,5S,6R,7R,8S)-3-Allyl-6-(3,4-Dimethoxyphenyl)-4-Keto-1-Methoxy-7-Methyl-8-Bicyclo[3.2.1]Oct-2-Enyl] Ester
• Molecular Formula: C₂₃H₂₈O₆
• Molecular Weight: 400.47
• CAS Registry Number: 149438-61-9
• SMILES: [C@@H]13[C@H](OC(=O)C)[C@@](OC)([C@@H]([C@H]1C2=CC=C(OC)C(=C2)OC)C)C=C(C3=O)CC=C
• InChI: 1S/C23H28O6/c1-7-8-16-12-23(28-6)13(2)19(20(21(16)25)22(23)29-14(3)24)15-9-10-17(26-4)18(11-15)27-5/h7,9-13,19-20,22H,1,8H2,2-6H3/t13-,19+,20-,22+,23+/m1/s1
• InChIKey: TVDQUJSTRADHSU-WWDCKHPPSA-N

Properties

• Density: 1.182g/cm³ (Cal.)
• Boiling point: 505.186°C at 760 mmHg (Cal.)
• Flash point: 217.609°C (Cal.)