Mesembrenone
[CAS# 80287-15-6]

Identification

• Name: Mesembrenone
• Synonyms: 6H-Indol-6-One, 3A-(3,4-Dimethoxyphenyl)-1,2,3,3A,7,7A-Hexahydro-1-Methyl-, (3Ar-Cis)-; (+)-Mesembrenone; C09223
• Molecular Formula: C₁₇H₂₁NO₃
• Molecular Weight: 287.36
• CAS Registry Number: 80287-15-6
• SMILES: [C@]12([C@@H](N(CC1)C)CC(=O)C=C2)C3=CC(=C(OC)C=C3)OC
• InChI: 1S/C17H21NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-7,10,16H,8-9,11H2,1-3H3/t16-,17-/m0/s1
• InChIKey: HDNHBCSWFYFPAN-IRXDYDNUSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 383.878°C at 760 mmHg (Cal.)
• Flash point: 185.963°C (Cal.)