N-Desmethyl-7-acetyl-10-hydroxy-6,14-endo-ethanotetrahydrothebaine

Analyte Name

N-Desmethyl-7-acetyl-10-hydroxy-6,14-endo-ethanotetrahydrothebaine

Molecular Formula

C22 H27 N O5

Molecular Weight

385.454

Accurate Mass

385.189

SMILES

COc1ccc2C(O)[C@H]3NCC[C@@]45[C@@H](Oc1c24)[C@]6(CC[C@@]35C[C@@H]6C(=O)C)OC

InChI

InChI=1S/C22H27NO5/c1-11(24)13-10-20-6-7-22(13,27-3)19-21(20)8-9-23-18(20)16(25)12-4-5-14(26-2)17(28-19)15(12)21/h4-5,13,16,18-19,23,25H,6-10H2,1-3H3/t13-,16?,18-,19-,20-,21+,22-/m1/s1

IUPAC

1-[(1S,2S,6S,14R,15R,16S)-7-hydroxy-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]ethanone

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat