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CHEBI:80805 - Cinobufagin

ChEBI IDCHEBI:80805
ChEBI NameCinobufagin
Stars
DownloadsMolfile
FormulaC26H34O6
Net Charge0
Average Mass442.552
Monoisotopic Mass442.23554
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](c5ccc(=O)oc5)[C@@H](OC(C)=O)[C@H]5O[C@@]534)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1
InChIKeySCULJPGYOQQXTK-OLRINKBESA-N
ChEBI Ontology
Outgoing Relation(s)
Cinobufagin (CHEBI:80805) has functional parent bufanolide (CHEBI:22934)
Cinobufagin (CHEBI:80805) is a steroid lactone (CHEBI:26766)
Manual XrefsDatabases
C16931KEGG COMPOUND
Registry NumbersSources
CAS:470-37-1KEGG COMPOUND