CHEBI:57672 - 7-O-acetylsalutaridinol(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7-O-acetylsalutaridinol(1+)
ChEBI ID CHEBI:57672
ChEBI ASCII Name 7-O-acetylsalutaridinol(1+)
Definition The conjugate acid of 7-O-acetylsalutaridinol arising from protonation of the tertiary amino function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H26NO5
Net Charge +1
Average Mass 372.43480
Monoisotopic Mass 372.18055
InChI InChI=1S/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3/p+1/t15-,17+,21+/m1/s1
InChIKey DNOMLUPMYHAJIY-KUDFPVQQSA-O
SMILES COC1=C[C@]23CC[NH+](C)[C@H](Cc4ccc(OC)c(O)c24)C3=C[C@@H]1OC(C)=O
ChEBI Ontology
Outgoing 7-O-acetylsalutaridinol(1+) (CHEBI:57672) is a ammonium ion derivative (CHEBI:35274)
7-O-acetylsalutaridinol(1+) (CHEBI:57672) is conjugate acid of 7-O-acetylsalutaridinol (CHEBI:16184)
Incoming 7-O-acetylsalutaridinol (CHEBI:16184) is conjugate base of 7-O-acetylsalutaridinol(1+) (CHEBI:57672)
IUPAC Name
4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-17-ium-7α-yl acetate
Synonyms Sources
(7S)-O-acetylsalutaridinol UniProt
7-O-acetylsalutaridinol cation ChEBI
Last Modified
18 February 2015