(5alpha,6alpha)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate
[CAS# 83968-47-2]

Identification

• Name: (5alpha,6alpha)-3-Methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate
• Synonyms: (5α,6α)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate
• Molecular Formula: C₂₈H₃₅NO₆S
• Molecular Weight: 513.65
• CAS Registry Number: 83968-47-2
• EINECS: 281-527-5
• SMILES: O=C6CC7CC[C@]6(CS(=O)(=O)O[C@H]1C=C[C@H]3[C@H]2Cc5ccc(OC)c4O[C@@H]1[C@]3(CCN2C)c45)C7(C)C
• InChI: 1S/C28H35NO6S/c1-26(2)17-9-10-27(26,22(30)14-17)15-36(31,32)35-21-8-6-18-19-13-16-5-7-20(33-4)24-23(16)28(18,25(21)34-24)11-12-29(19)3/h5-8,17-19,21,25H,9-15H2,1-4H3/t17?,18-,19+,21-,25-,27+,28-/m0/s1
• InChIKey: QZLHCRYWKOXQDH-WIQCITINSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 662.665°C at 760 mmHg (Cal.)
• Flash point: 354.567°C (Cal.)