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CHEBI:83977 - (5β)-bufadienolide

ChEBI IDCHEBI:83977
ChEBI Name(5β)-bufadienolide
Stars
ASCII Name(5beta)-bufadienolide
DefinitionThe (5β)-stereoiosmer of bufadienolide.
Last Modified12 February 2020
Submitternamrata
DownloadsMolfile
FormulaC24H34O2
Net Charge0
Average Mass354.534
Monoisotopic Mass354.25588
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@]3([H])[C@]1([H])CC2
InChIInChI=1S/C24H34O2/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/h6,11,15,17-21H,3-5,7-10,12-14H2,1-2H3/t17-,18-,19+,20+,21-,23-,24+/m0/s1
InChIKeyYBPMPRDOWHIVNA-JTSGVHQASA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
(5β)-bufadienolide (CHEBI:83977) is a bufadienolide (CHEBI:80798)
Incoming Relation(s)
marinobufagenin (CHEBI:146151) has functional parent (5β)-bufadienolide (CHEBI:83977)
IUPAC Name 
(5β)-bufa-20,22-dienolide
Manual XrefsDatabases
BufadienolideWikipedia