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CHEBI:58679 - 17-O-acetylajmalinium

ChEBI IDCHEBI:58679
ChEBI Name17-O-acetylajmalinium
Stars
ASCII Name17-O-acetylajmalinium
DefinitionConjugate acid of 17-O-acetylajmaline.
Last Modified27 October 2017
DownloadsMolfile
FormulaC22H29N2O3
Net Charge+1
Average Mass369.485
Monoisotopic Mass369.21727
SMILES[H][C@@]12C[C@@H]3C4[C@@H](OC(C)=O)[C@]5(C[C@@H]4[NH+]1[C@H](O)[C@H]3CC)c1ccccc1N(C)[C@H]52
InChIInChI=1S/C22H28N2O3/c1-4-12-13-9-16-19-22(14-7-5-6-8-15(14)23(19)3)10-17(24(16)21(12)26)18(13)20(22)27-11(2)25/h5-8,12-13,16-21,26H,4,9-10H2,1-3H3/p+1/t12-,13-,16-,17-,18?,19-,20+,21+,22+/m0/s1
InChIKeySRISWFJLVRCABV-HUXZXPIYSA-O
ChEBI Ontology
Outgoing Relation(s)
17-O-acetylajmalinium (CHEBI:58679) is a ammonium ion derivative (CHEBI:35274)
17-O-acetylajmalinium (CHEBI:58679) is conjugate acid of 17-O-acetylajmaline (CHEBI:37674)
Incoming Relation(s)
17-O-acetylajmaline (CHEBI:37674) is conjugate base of 17-O-acetylajmalinium (CHEBI:58679)
IUPAC Name 
(17R,21α)-21-hydroxyajmalan-4-ium-17-yl acetate
UniProt Name  Source
17-O-acetylajmalineUniProt