EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:37674 - 17-O-acetylajmaline

Default Structure
ChEBI IDCHEBI:37674
ChEBI Name17-O-acetylajmaline
Stars
ASCII Name17-O-acetylajmaline
Last Modified2 April 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H28N2O3
Net Charge0
Average Mass368.477
Monoisotopic Mass368.20999
SMILES[H][C@@]12N(C)c3ccccc3[C@]13C[C@H]1C([C@H]4C[C@]2([H])N1[C@H](O)[C@H]4CC)[C@H]3OC(C)=O
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/t12-,13-,16-,17-,18?,19-,20+,21+,22+/m0/s1
InChIKeySRISWFJLVRCABV-HUXZXPIYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
17-O-acetylajmaline (CHEBI:37674) has functional parent ajmaline (CHEBI:28462)
17-O-acetylajmaline (CHEBI:37674) is a acetate ester (CHEBI:47622)
17-O-acetylajmaline (CHEBI:37674) is a hemiaminal (CHEBI:73080)
17-O-acetylajmaline (CHEBI:37674) is conjugate base of 17-O-acetylajmalinium (CHEBI:58679)
Incoming Relation(s)
17-O-acetylajmalinium (CHEBI:58679) is conjugate acid of 17-O-acetylajmaline (CHEBI:37674)
IUPAC Name 
21α-hydroxyajmalan-17α-yl acetate