(3aS,5R)-7-Methoxy-1,5,8-Trimethyl-4,5-Dihydro-3aH-Benzo[e][1]Benzoxol-2-One
[CAS# 123914-48-7]

Identification

• Name: (3aS,5R)-7-Methoxy-1,5,8-Trimethyl-4,5-Dihydro-3aH-Benzo[e][1]Benzoxol-2-One
• Synonyms: (3As,5R)-7-Methoxy-1,5,8-Trimethyl-4,5-Dihydro-3Ah-Benzo[E]Benzofuran-2-One; Naphtho(2,1-B)Furan-2(3Ah)-One, 4,5-Dihydro-7-Methoxy-1,5,8-Trimethyl-, (3As-Trans)-; C09936
• Molecular Formula: C₁₆H₁₈O₃
• Molecular Weight: 258.32
• CAS Registry Number: 123914-48-7
• SMILES: [C@@H]12OC(=O)C(=C1C3=C([C@@H](C2)C)C=C(OC)C(=C3)C)C
• InChI: 1S/C16H18O3/c1-8-6-14-15(10(3)16(17)19-14)12-5-9(2)13(18-4)7-11(8)12/h5,7-8,14H,6H2,1-4H3/t8-,14+/m1/s1
• InChIKey: CEVWVTGBJBHAMO-CLAHSXSESA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 447.611°C at 760 mmHg (Cal.)
• Flash point: 191.627°C (Cal.)