(3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
[CAS# 468-53-1]

Identification

• Name: (3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
• Synonyms: 3A-(3,4-Dimethoxyphenyl)Octahydro-1-Methyl-6H-Indol-6-One
• Molecular Formula: C₁₇H₂₃NO₃
• Molecular Weight: 289.37
• CAS Registry Number: 468-53-1
• SMILES: [C@]12(CCN([C@@H]1CC(CC2)=O)C)C3=CC=C(C(=C3)OC)OC
• InChI: 1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1
• InChIKey: DAHIQPJTGIHDGO-IAGOWNOFSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 419.206°C at 760 mmHg (Cal.)
• Flash point: 207.329°C (Cal.)