Analyte Name

Acetorphine

CAS Number

25333-77-1

Molecular Formula

C27 H35 N O5

Molecular Weight

453.57

Accurate Mass

453.252

SMILES

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

InChI

InChI=1S/C27H35NO5/c1-6-9-24(3,30)19-15-25-10-11-27(19,31-5)23-26(25)12-13-28(4)20(25)14-17-7-8-18(32-16(2)29)22(33-23)21(17)26/h7-8,10-11,19-20,23,30H,6,9,12-15H2,1-5H3/t19-,20-,23-,24-,25-,26+,27-/m1/s1

IUPAC

[(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat