(1S,2R,5S,6R,7R)-2-Hydroxy-5-Methoxy-6-Methyl-3-Prop-2-Enyl-7-(3,4,5-Trimethoxyphenyl)Bicyclo[3.2.1]Oct-3-En-8-One
[CAS# 74944-98-2]

Identification

• Name: (1S,2R,5S,6R,7R)-2-Hydroxy-5-Methoxy-6-Methyl-3-Prop-2-Enyl-7-(3,4,5-Trimethoxyphenyl)Bicyclo[3.2.1]Oct-3-En-8-One
• Synonyms: (1S,2R,5S,6R,7R)-3-Allyl-2-Hydroxy-5-Methoxy-6-Methyl-7-(3,4,5-Trimethoxyphenyl)Bicyclo[3.2.1]Oct-3-En-8-One; (1S,2R,5S,6R,7R)-3-Allyl-2-Hydroxy-5-Methoxy-6-Methyl-7-(3,4,5-Trimethoxyphenyl)-8-Bicyclo[3.2.1]Oct-3-Enone
• Molecular Formula: C₂₂H₂₈O₆
• Molecular Weight: 388.46
• CAS Registry Number: 74944-98-2
• SMILES: [C@]13(C([C@@H]([C@@H]([C@H]1C)C2=CC(=C(OC)C(=C2)OC)OC)[C@H](C(=C3)CC=C)O)=O)OC
• InChI: 1S/C22H28O6/c1-7-8-13-11-22(28-6)12(2)17(18(19(13)23)21(22)24)14-9-15(25-3)20(27-5)16(10-14)26-4/h7,9-12,17-19,23H,1,8H2,2-6H3/t12-,17+,18+,19+,22-/m1/s1
• InChIKey: NWXSUVZITFIXOL-SFFVMTGDSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 516.021°C at 760 mmHg (Cal.)
• Flash point: 174.086°C (Cal.)