(4R)-6alpha-[(1S,2R)-2-(Acetyloxy)-1-Methyl-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Ethyl]-4alpha-Methoxy-6-(2-Propenyl)-2-Cyclohexen-1-One
[CAS# 64332-39-4]

Identification

• Name: (4R)-6alpha-[(1S,2R)-2-(Acetyloxy)-1-Methyl-2-(7-Methoxy-1,3-Benzodioxol-5-Yl)Ethyl]-4alpha-Methoxy-6-(2-Propenyl)-2-Cyclohexen-1-One
• Synonyms: [2-(1-Allyl-5-Methoxy-2-Oxo-1-Cyclohex-3-Enyl)-1-(7-Methoxy-1,3-Benzodioxol-5-Yl)Propyl] Acetate; Acetic Acid [2-(1-Allyl-5-Methoxy-2-Oxo-1-Cyclohex-3-Enyl)-1-(7-Methoxy-1,3-Benzodioxol-5-Yl)Propyl] Ester; Acetic Acid [2-(1-Allyl-2-Keto-5-Methoxy-1-Cyclohex-3-Enyl)-1-(7-Methoxy-1,3-Benzodioxol-5-Yl)Propyl] Ester
• Molecular Formula: C₂₃H₂₈O₇
• Molecular Weight: 416.47
• CAS Registry Number: 64332-39-4
• SMILES: C2=C(C(C(C1(C(C=CC(C1)OC)=O)CC=C)C)OC(=O)C)C=C(C3=C2OCO3)OC
• InChI: 1S/C23H28O7/c1-6-9-23(12-17(26-4)7-8-20(23)25)14(2)21(30-15(3)24)16-10-18(27-5)22-19(11-16)28-13-29-22/h6-8,10-11,14,17,21H,1,9,12-13H2,2-5H3
• InChIKey: RUBUGEIVVQMIEX-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 517.847°C at 760 mmHg (Cal.)
• Flash point: 222.865°C (Cal.)