(5alpha,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
[CAS# 85080-83-7]

Identification

• Name: (5alpha,6beta,14beta,18R)-18-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
• Synonyms: (5α,7α)-α-tert-butyl-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol; NORBUPRENORPHINE
• Molecular Formula: C₂₅H₃₅NO₄
• Molecular Weight: 413.55
• CAS Registry Number: 85080-83-7
• EINECS: 285-338-9
• SMILES: OC(C)(C(C)(C)C)[C@@H]6[C@]1(OC)CC[C@]5([C@@H]4NCC[C@@]52c3c(ccc(O)c3O[C@@H]12)C4)C6
• InChI: 1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m1/s1
• InChIKey: YOYLLRBMGQRFTN-SMCOLXIQSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 562.741°C at 760 mmHg (Cal.)
• Flash point: 294.135°C (Cal.)