(5alpha,6beta)-6-(Acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxymorphinan-3-ol
[CAS# 129224-33-5]

Identification

• Name: (5alpha,6beta)-6-(Acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxymorphinan-3-ol
• Synonyms: Morphinan-3-Ol, 6-(Acetylthio)-17-(Cyclopropylmethyl)-7,8-Didehydro-4,5-Epoxy-, (5Alpha,6Beta)-; (5Alpha,6Beta)-6-(Acetylthio)-17-(Cyclopropylmethyl)-7,8-Didehydro-4,5-Epoxymorphinan-3-Ol; Kt 89
• Molecular Formula: C₂₂H₂₅NO₃S
• Molecular Weight: 383.50
• CAS Registry Number: 129224-33-5
• SMILES: [C@@]126C3=C4C[C@H]([C@@H]1C=C[C@H]([C@@H]2OC3=C(C=C4)O)SC(C)=O)N(CC5CC5)CC6
• InChI: 1S/C22H25NO3S/c1-12(24)27-18-7-5-15-16-10-14-4-6-17(25)20-19(14)22(15,21(18)26-20)8-9-23(16)11-13-2-3-13/h4-7,13,15-16,18,21,25H,2-3,8-11H2,1H3/t15-,16+,18+,21-,22-/m0/s1
• InChIKey: AENIFEKJJPCKIV-OPRKNOPESA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 548.648°C at 760 mmHg (Cal.)
• Flash point: 285.612°C (Cal.)