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CHEBI:71620 - cardenolide

ChEBI IDCHEBI:71620
ChEBI Namecardenolide
Stars
DefinitionA steroid lactone that is a C23 steroid with methyl groups at C-10 and C-13 and a butenolide ring at C-17.
Last Modified10 July 2013
Submitternamrata
DownloadsMolfile
FormulaC23H34O2
Net Charge0
Average Mass342.523
Monoisotopic Mass342.25588
SMILES[H][C@@]12CCC3CCCC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@]2([H])CC[C@]1([H])C1=CC(=O)OC1
InChIInChI=1S/C23H34O2/c1-22-11-4-3-5-16(22)6-7-17-19-9-8-18(15-13-21(24)25-14-15)23(19,2)12-10-20(17)22/h13,16-20H,3-12,14H2,1-2H3/t16?,17-,18+,19+,20-,22-,23+/m0/s1
InChIKeyJIUWTCXNUNHEGP-GJHPUSIBSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
cardenolide (CHEBI:71620) is a cardenolides (CHEBI:74634)
cardenolide (CHEBI:71620) is a steroid fundamental parent (CHEBI:35508)
IUPAC Name 
card-20(22)-enolide
Manual XrefsDatabases
CardenolideWikipedia