[(1S,5aS,9aS,9bR)-6,6,9a-Trimethyl-1,4,5,5a,7,8,9,9b-Octahydrobenzo[g][2]Benzoxol-1-Yl] Acetate
[CAS# 134822-40-5]

Identification

• Name: [(1S,5aS,9aS,9bR)-6,6,9a-Trimethyl-1,4,5,5a,7,8,9,9b-Octahydrobenzo[g][2]Benzoxol-1-Yl] Acetate
• Synonyms: [(1S,5As,9As,9Br)-6,6,9A-Trimethyl-1,4,5,5A,7,8,9,9B-Octahydrobenzo[G]Isobenzofuran-1-Yl] Acetate; Acetic Acid [(1S,5As,9As,9Br)-6,6,9A-Trimethyl-1,4,5,5A,7,8,9,9B-Octahydrobenzo[G]Isobenzofuran-1-Yl] Ester; [(1S,5As,9As,9Br)-6,6,9A-Trimethyl-1,4,5,5A,7,8,9,9B-Octahydrobenzo[G][2]Benzoxol-1-Yl] Ethanoate
• Molecular Formula: C₁₇H₂₆O₃
• Molecular Weight: 278.39
• CAS Registry Number: 134822-40-5
• SMILES: [C@]23([C@H]1[C@@H](OC=C1CC[C@H]2C(C)(C)CCC3)OC(=O)C)C
• InChI: 1S/C17H26O3/c1-11(18)20-15-14-12(10-19-15)6-7-13-16(2,3)8-5-9-17(13,14)4/h10,13-15H,5-9H2,1-4H3/t13-,14+,15-,17-/m0/s1
• InChIKey: VTWFKCAENOAYPA-IVSAIRAKSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 358.084°C at 760 mmHg (Cal.)
• Flash point: 149.331°C (Cal.)