3-Phenylpropenoic Acid 7,8-Didehydro-4,5a-Epoxy-3-Methoxy-17-Methyl-6-Oxomorphinan-14-Yl Ester
[CAS# 751-01-9]

Identification

• Name: 3-Phenylpropenoic Acid 7,8-Didehydro-4,5a-Epoxy-3-Methoxy-17-Methyl-6-Oxomorphinan-14-Yl Ester
• Synonyms: 14-Hydroxycodeinone Cinnamate; Codeinone, 14-Hydroxy-, Cinnamate (7Ci); Morphinan-6-One, 7,8-Didehydro-4,5-Alpha-Epoxy-14-Hydroxy-3-Methoxy-17-Methyl-, Cinnamate
• Molecular Formula: C₂₇H₂₅NO₅
• Molecular Weight: 443.50
• CAS Registry Number: 751-01-9
• SMILES: [C@]235[C@]6(OC(=O)\C=C\C1=CC=CC=C1)[C@H](N(CC2)C)CC4=CC=C(OC)C(=C34)O[C@H]5C(=O)C=C6
• InChI: 1S/C27H25NO5/c1-28-15-14-26-23-18-9-10-20(31-2)24(23)32-25(26)19(29)12-13-27(26,21(28)16-18)33-22(30)11-8-17-6-4-3-5-7-17/h3-13,21,25H,14-16H2,1-2H3/b11-8+/t21-,25+,26+,27-/m1/s1
• InChIKey: BWZTYCFJIMYOHI-JKGZCERPSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 617.203°C at 760 mmHg (Cal.)
• Flash point: 327.073°C (Cal.)