7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol acetate
[CAS# 6703-27-1]

Identification

• Name: 7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol acetate
• Synonyms: Acetylcodeine; Codeine, Acetyl-; Morphinan-6-Alpha-Ol, 7,8-Didehydro-4,5-Alpha-Epoxy-3-Methoxy-17-Methyl-, Acetate
• Molecular Formula: C₂₀H₂₃NO₄
• Molecular Weight: 341.41
• CAS Registry Number: 6703-27-1
• SMILES: [C@]124[C@@H]5[C@H](N(CC1)C)CC3=C2C(=C(OC)C=C3)O[C@H]4[C@@H](OC(=O)C)C=C5
• InChI: 1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
• InChIKey: MFXFQKMUCYHPFQ-BKRJIHRRSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 461.173°C at 760 mmHg (Cal.)
• Flash point: 232.709°C (Cal.)

References

• (1): V. N. Sonar, S. Parkin and P. A. Crooks. 6[alpha]-Acetoxy-4,5[alpha]-epoxy-3-methoxy-17-methylmorphin-7-ene, Acta Cryst. (2005). E61, o2579-o2581