Analyte Name

Buprenorphine 3-O-Methyl ether

CAS Number

16524-65-5

Molecular Formula

C30 H43 N O4

Molecular Weight

481.67

Measured Value

1 mg/mL

Accurate Mass

481.3192

SMILES

COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)[C@]7(CC[C@@]36C[C@@H]7[C@](C)(O)C(C)(C)C)OC

InChI

InChI=1S/C30H43NO4/c1-26(2,3)27(4,32)21-16-28-11-12-30(21,34-6)25-29(28)13-14-31(17-18-7-8-18)22(28)15-19-9-10-20(33-5)24(35-25)23(19)29/h9-10,18,21-22,25,32H,7-8,11-17H2,1-6H3/t21-,22-,25-,27+,28-,29+,30?/m1/s1

IUPAC

(2S)-2-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol

Country of Origin

CANADA

Product Type

Impurity

Product Format

Single Solution

Matrix

Acetonitrile