4,5a-Epoxy-3-Hydroxy-6-Methoxy-a,17-Dimethyl-a-Propyl-6b,14-Ethenomorphinan-7-Methanol
[CAS# 4562-22-5]

Identification

• Name: 4,5a-Epoxy-3-Hydroxy-6-Methoxy-a,17-Dimethyl-a-Propyl-6b,14-Ethenomorphinan-7-Methanol
• Synonyms: 6,14-Endoetheno-7-(2-Hydroxy-2-Pentyl)Tetrahydro-Oripavine; Morphinan-3-Ol, 6,14-Endoetheno-4,5-Alpha-Epoxy-7-(2-Hydroxy-2-Pentyl)-6-Methoxy-17-Methyl-
• Molecular Formula: C₂₅H₃₃NO₄
• Molecular Weight: 411.54
• CAS Registry Number: 4562-22-5
• SMILES: [C@]134[C@H]5OC2=C(O)C=CC(=C12)C[C@@H](N(CC3)C)C46CC(C5(OC)C=C6)C(O)(CCC)C
• InChI: 1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21-,22?,23?,24+,25?/m1/s1
• InChIKey: CAHCBJPUTCKATP-NSLQELFPSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 549.651°C at 760 mmHg (Cal.)
• Flash point: 286.219°C (Cal.)