(5beta,7beta)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5xi)-beta-D-lyxo-hexopyranosiduronic acid
[CAS# 469887-29-4]

Identification

• Name: (5beta,7beta)-7-[(2R)-2-Hydroxy-3,3-dimethyl-2-butanyl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-yl (5xi)-beta-D-lyxo-hexopyranosiduronic acid
• Synonyms: Norbuprenorphine 3-¦Â-D-Glucuronide; Norbuprenorphine 3-β-D-Glucuronide
• Molecular Formula: C₃₁H₄₃NO₁₀
• Molecular Weight: 589.67
• CAS Registry Number: 469887-29-4
• SMILES: CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN[C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@H]([C@H]([C@@H](C(O7)C(=O)O)O)O)O)O4)OC)O
• InChI: 1S/C31H43NO10/c1-27(2,3)28(4,38)16-13-29-8-9-31(16,39-5)26-30(29)10-11-32-17(29)12-14-6-7-15(22(42-26)18(14)30)40-25-21(35)19(33)20(34)23(41-25)24(36)37/h6-7,16-17,19-21,23,25-26,32-35,38H,8-13H2,1-5H3,(H,36,37)/t16-,17-,19+,20+,21+,23?,25-,26-,28?,29-,30+,31-/m1/s1
• InChIKey: OOLGGESLZHGXGC-KNNARUGJSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Refractive index: 1.656 (Cal.)