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CHEBI:57753 - vindolinium(1+)

ChEBI IDCHEBI:57753
ChEBI Namevindolinium(1+)
Stars
DefinitionA vinca alkaloid cation that is the conjugate acid of vindoline; major species at pH 7.3.
Last Modified26 July 2017
DownloadsMolfile
FormulaC25H33N2O6
Net Charge+1
Average Mass457.547
Monoisotopic Mass457.23331
SMILES[H][C@@]12N(C)c3cc(OC)ccc3[C@@]13CC[NH+]1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H]
InChIInChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/p+1/t19-,20+,21+,23+,24+,25-/m0/s1
InChIKeyCXBGOBGJHGGWIE-ACSXSLCXSA-O
ChEBI Ontology
Outgoing Relation(s)
vindolinium(1+) (CHEBI:57753) is a vinca alkaloid cation (CHEBI:60082)
vindolinium(1+) (CHEBI:57753) is conjugate acid of vindoline (CHEBI:16380)
Incoming Relation(s)
vindoline (CHEBI:16380) is conjugate base of vindolinium(1+) (CHEBI:57753)
IUPAC Name 
4β-acetoxy-3β-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium
Synonyms  Source
vindolinium cationChEBI
methyl 4β-acetyloxy-3β-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2β,5α,12β,19α-aspidospermidin-9-ium-3α-carboxylateChEBI
(2β,3β,4β,5α,12β,19α)-4-acetoxy-3-hydroxy-16-methoxy-3-(methoxycarbonyl)-1-methyl-6,7-didehydroaspidospermidin-9-iumIUPAC
UniProt Name  Source
vindolineUniProt