(1S,4R,5R,7S)-6-(3,4-Dimethoxyphenyl)-4-Hydroxy-3-Methoxy-4,7-Dimethyl-1-Prop-2-Enylbicyclo[3.2.1]Oct-2-En-8-One
[CAS# 108864-50-2]

Identification

• Name: (1S,4R,5R,7S)-6-(3,4-Dimethoxyphenyl)-4-Hydroxy-3-Methoxy-4,7-Dimethyl-1-Prop-2-Enylbicyclo[3.2.1]Oct-2-En-8-One
• Synonyms: (1S,4R,5R,7S)-1-Allyl-6-(3,4-Dimethoxyphenyl)-4-Hydroxy-3-Methoxy-4,7-Dimethyl-Bicyclo[3.2.1]Oct-2-En-8-One; (1S,4R,5R,7S)-1-Allyl-6-(3,4-Dimethoxyphenyl)-4-Hydroxy-3-Methoxy-4,7-Dimethyl-8-Bicyclo[3.2.1]Oct-2-Enone; (1S,4R,5R,7S)-6-(3,4-Dimethoxyphenyl)-4-Hydroxy-3-Methoxy-4,7-Dimethyl-1-Prop-2-Enyl-Bicyclo[3.2.1]Oct-2-En-8-One
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.46
• CAS Registry Number: 108864-50-2
• SMILES: [C@@H]23C(C1=CC(=C(C=C1)OC)OC)[C@@H]([C@](C=C([C@@]2(O)C)OC)(CC=C)C3=O)C
• InChI: 1S/C22H28O5/c1-7-10-22-12-17(27-6)21(3,24)19(20(22)23)18(13(22)2)14-8-9-15(25-4)16(11-14)26-5/h7-9,11-13,18-19,24H,1,10H2,2-6H3/t13-,18?,19-,21-,22+/m0/s1
• InChIKey: JBYGAWPYVWTNRG-KTHGADAFSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 507.043°C at 760 mmHg (Cal.)
• Flash point: 171.615°C (Cal.)