Cyclopropyl{(5alpha,7alpha)-3-hydroxy-7-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-yl}methanone
[CAS# 84712-92-5]

Identification

• Name: Cyclopropyl{(5alpha,7alpha)-3-hydroxy-7-[(2R)-2-hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-17-yl}methanone
• Synonyms: (5α,7α)-α-tert-butyl-17-(cyclopropylcarbonyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-α-methyl-6,14-ethenomorphinan-7-methanol
• Molecular Formula: C₂₉H₃₉NO₅
• Molecular Weight: 481.62
• CAS Registry Number: 84712-92-5
• EINECS: 283-782-8
• SMILES: CC(C)(C)C(C)(O)[C@H]7C[C@]64CC[C@]7(OC)[C@@H]1Oc2c(O)ccc3C[C@H]6N(CC[C@]14c23)C(=O)C5CC5
• InChI: 1S/C29H39NO5/c1-25(2,3)26(4,33)19-15-27-10-11-29(19,34-5)24-28(27)12-13-30(23(32)16-6-7-16)20(27)14-17-8-9-18(31)22(35-24)21(17)28/h8-9,16,19-20,24,31,33H,6-7,10-15H2,1-5H3/t19-,20-,24-,26?,27-,28+,29-/m1/s1
• InChIKey: LLPIYCRHLHHJKV-BLZSMSMGSA-N

Properties

• Density: 1.319g/cm³ (Cal.)