(2R)-2-[(5alpha,6beta,14beta,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-3,3-dimethyl-2-butanol
[CAS# 85080-82-6]

Identification

• Name: (2R)-2-[(5alpha,6beta,14beta,18R)-3,6-Dimethoxy-17-methyl-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-18-yl]-3,3-dimethyl-2-butanol
• Synonyms: (5α,7α)-α-tert-butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-α,17-dimethyl-6,14-ethenomorphinan-7-methanol
• Molecular Formula: C₂₇H₃₉NO₄
• Molecular Weight: 441.60
• CAS Registry Number: 85080-82-6
• EINECS: 285-337-3
• SMILES: CC(C)(C)C(C)(O)[C@H]6C[C@]43CC[C@]6(OC)[C@@H]1Oc5c2c(C[C@H]4N(C)CC[C@@]123)ccc5OC
• InChI: 1S/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3/t18-,19-,22-,24?,25-,26+,27-/m1/s1
• InChIKey: KNDFXYGKWIQXNP-ZGPFIDFOSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 549.815°C at 760 mmHg (Cal.)
• Flash point: 286.318°C (Cal.)