CHEBI:20661 - 5β-bufanolide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-bufanolide
ChEBI ID CHEBI:20661
ChEBI ASCII Name 5beta-bufanolide
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H38O2
Net Charge 0
Average Mass 358.55732
Monoisotopic Mass 358.28718
InChI InChI=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
InChIKey PXOHOSHERMSUCD-XBRYSSHXSA-N
SMILES [H][C@@]1(CCC(=O)OC1)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing 5β-bufanolide (CHEBI:20661) is a bufanolide (CHEBI:22934)
Incoming 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
Last Modified
14 June 2017