Methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-Dimethyl-7-Prop-1-En-2-Yl-3a,4,5,5a,6,7,8,9-Octahydro-1H-Benzo[g]Inden-6-Yl]Propanoate
[CAS# 102848-63-5]

Identification

• Name: Methyl 3-[(3aR,5aR,6S,7S,9aR,9bR)-9a,9b-Dimethyl-7-Prop-1-En-2-Yl-3a,4,5,5a,6,7,8,9-Octahydro-1H-Benzo[g]Inden-6-Yl]Propanoate
• Synonyms: Methyl 3-[(3Ar,5Ar,6S,7S,9Ar,9Br)-7-Isopropenyl-9A,9B-Dimethyl-3A,4,5,5A,6,7,8,9-Octahydro-1H-Benzo[G]Inden-6-Yl]Propanoate; 3-[(3Ar,5Ar,6S,7S,9Ar,9Br)-7-Isopropenyl-9A,9B-Dimethyl-3A,4,5,5A,6,7,8,9-Octahydro-1H-Benzo[G]Inden-6-Yl]Propanoic Acid Methyl Ester; 3-[(3Ar,5Ar,6S,7S,9Ar,9Br)-7-Isopropenyl-9A,9B-Dimethyl-3A,4,5,5A,6,7,8,9-Octahydro-1H-Benzo[G]Inden-6-Yl]Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₄O₂
• Molecular Weight: 330.51
• CAS Registry Number: 102848-63-5
• SMILES: [C@]12(CC=C[C@H]1CC[C@H]3[C@]2(CC[C@@H]([C@@H]3CCC(=O)OC)C(=C)C)C)C
• InChI: 1S/C22H34O2/c1-15(2)17-12-14-22(4)19(18(17)9-11-20(23)24-5)10-8-16-7-6-13-21(16,22)3/h6-7,16-19H,1,8-14H2,2-5H3/t16-,17+,18-,19+,21+,22+/m0/s1
• InChIKey: GZLOULXNCLGCGH-MYBSLXOZSA-N

Properties

• Density: 0.986g/cm³ (Cal.)
• Boiling point: 392.781°C at 760 mmHg (Cal.)
• Flash point: 102.181°C (Cal.)