Nombre del analito

7-(S)-Buprenorphine

Número CAS

152610-73-6

Fórmula molecular

C29H41NO4

Peso molecular

467.64

Measured Value

1 mg/mL

Masa exacta

467.3036

SMILES

[H][C@](C1)(C(O)(C)C(C)(C)C)[C@@](CC2)(OC)[C@H]3[C@]([C@@]12[C@H](N4CC5CC5)C6)(CC4)C7=C6C=CC(O)=C7O3

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21+,24+,26?,27+,28-,29+/m0/s1

IUPAC

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

País de origen

CANADA

Tipo de producto

Impurity

Formato del producto

Single Solution

Matriz

Acetonitrile