6-O-Desmethyl Buprenorphine (1mg/ml in Acetonitrile)

Analyte Name

6-O-Desmethyl Buprenorphine

CAS Number

130668-48-3

Molecular Formula

C28 H39 N O4

Molecular Weight

453.61

Measured Value

1 mg/mL

Accurate Mass

453.2879

SMILES

CC(C)(C)[C@@](C)(O)[C@H]1C[C@]23CC[C@]1(O)[C@@H]4Oc5c(O)ccc6C[C@H]2N(CC7CC7)CC[C@@]34c56

InChI

InChI=1S/C28H39NO4/c1-24(2,3)25(4,31)19-14-26-9-10-28(19,32)23-27(26)11-12-29(15-16-5-6-16)20(26)13-17-7-8-18(30)22(33-23)21(17)27/h7-8,16,19-20,23,30-32H,5-6,9-15H2,1-4H3/t19-,20-,23-,25+,26-,27+,28?/m1/s1

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile