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CHEBI:58930 - 16-methoxytabersoninium(1+)

ChEBI IDCHEBI:58930
ChEBI Name16-methoxytabersoninium(1+)
Stars
DefinitionConjugate acid of 16-methoxytabersonine arising from protonation of the endocyclic tertiary amino group.
Last Modified2 July 2014
DownloadsMolfile
FormulaC22H27N2O3
Net Charge+1
Average Mass367.469
Monoisotopic Mass367.20162
SMILES[H][C@]12[NH+]3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(OC)ccc4[C@@]12CC3
InChIInChI=1S/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3/p+1/t20-,21-,22-/m0/s1
InChIKeyAEXBRBWRPNGGEZ-FKBYEOEOSA-O
ChEBI Ontology
Outgoing Relation(s)
16-methoxytabersoninium(1+) (CHEBI:58930) is a ammonium ion derivative (CHEBI:35274)
16-methoxytabersoninium(1+) (CHEBI:58930) is conjugate acid of 16-methoxytabersonine (CHEBI:769)
Incoming Relation(s)
16-methoxytabersonine (CHEBI:769) is conjugate base of 16-methoxytabersoninium(1+) (CHEBI:58930)
IUPAC Name 
methyl 16-methoxy-2,3,6,7-tetradehydro-5α,12β,19α-aspidospermidin-9-ium-3-carboxylate
Synonym  Source
16-methoxytabersoninium cationChEBI
UniProt Name  Source
16-methoxytabersonineUniProt