3-Methoxy-14-acetoxy-17-methyl-4,5alpha-epoxy-7,8-didehydromorphinan-6-one
[CAS# 978-76-7]

Identification

• Name: 3-Methoxy-14-acetoxy-17-methyl-4,5alpha-epoxy-7,8-didehydromorphinan-6-one
• Synonyms: Codeinone, 14-Hydroxy-, Acetate; Codeinone, Acetylhydroxy-; Morphinan-6-One, 14-(Acetyloxy)-7,8-Didehydro-4,5-Epoxy-3-Methoxy-17-Methyl-, (5-Alpha)-
• Molecular Formula: C₂₀H₂₁NO₅
• Molecular Weight: 355.39
• CAS Registry Number: 978-76-7
• SMILES: [C@]124[C@]5(OC(=O)C)[C@H](N(CC1)C)CC3=CC=C(OC)C(=C23)O[C@H]4C(=O)C=C5
• InChI: 1S/C20H21NO5/c1-11(22)26-20-7-6-13(23)18-19(20)8-9-21(2)15(20)10-12-4-5-14(24-3)17(25-18)16(12)19/h4-7,15,18H,8-10H2,1-3H3/t15-,18+,19+,20-/m1/s1
• InChIKey: HMDVVUCUWLIGOO-XFWGSAIBSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 504.779°C at 760 mmHg (Cal.)
• Flash point: 259.081°C (Cal.)