isothebaine
Molecular Formula:
C
19
H
21
NO
3
InChI:
InChI=1/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1
InChIKey:
InChIKey=RQCOQZNIQLKGTN-ZDUSSCGKBQ
SMILES:
[H][C@]12CC3=CC=CC(OC)=C3C4=C1C(CCN2C)=CC(OC)=C4O
CAS number 568-21-8
Names:
C09550
Isothebaine
isothebaine
1-Hydroxy-2,11-dimethoxyaporphine
2,11-Dimethoxy-1-hydroxyaporphine
568-21-8
Registries:
PubChem CID 11281
CAS 568-21-8 (from NIST)
ChEBI 6066
Kegg C09550
PubChem ID 11741