(3R-(3alpha,5aalpha,9alpha,9aalpha))-Octahydro-9-(Methoxymethyl)-2,2,5a-Trimethyl-2H-3,9a-Methano-1-Benzoxepin
[CAS# 144407-45-4]

Identification

• Name: (3R-(3alpha,5aalpha,9alpha,9aalpha))-Octahydro-9-(Methoxymethyl)-2,2,5a-Trimethyl-2H-3,9a-Methano-1-Benzoxepin
• Synonyms: Baimuxinol Methyl Ether
• Molecular Formula: C₁₆H₂₈O₂
• Molecular Weight: 252.40
• CAS Registry Number: 144407-45-4
• SMILES: [C@@H]13C(OC2([C@@](CC1)(CCC[C@@H]2COC)C)C3)(C)C
• InChI: 1S/C16H28O2/c1-14(2)12-7-9-15(3)8-5-6-13(11-17-4)16(15,10-12)18-14/h12-13H,5-11H2,1-4H3/t12-,13-,15-,16?/m1/s1
• InChIKey: XAYJDOLLZRXDPK-WNJMZYFESA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 270.463°C at 760 mmHg (Cal.)
• Flash point: 129.962°C (Cal.)