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CHEBI:20661 - 5β-bufanolide

ChEBI IDCHEBI:20661
ChEBI Name5β-bufanolide
Stars
ASCII Name5beta-bufanolide
Last Modified14 June 2017
DownloadsMolfile
FormulaC24H38O2
Net Charge0
Average Mass358.566
Monoisotopic Mass358.28718
SMILES[H][C@]1([C@@]2([H])CC[C@]3([H])[C@]4([H])CC[C@]5([H])CCCC[C@]5(C)[C@@]4([H])CC[C@]23C)CCC(=O)OC1
InChIInChI=1S/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17-,18-,19+,20+,21-,23-,24+/m0/s1
InChIKeyPXOHOSHERMSUCD-XBRYSSHXSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-bufanolide (CHEBI:20661) is a bufanolide (CHEBI:22934)
Incoming Relation(s)
hellebrigenin (CHEBI:38344) has functional parent 5β-bufanolide (CHEBI:20661)
lucibufagin C (CHEBI:134224) has parent hydride 5β-bufanolide (CHEBI:20661)
IUPAC Name 
5β-bufanolide