BUFA-1-4-20-22-TETRAENOLIDE,14-HYDROXY-3-OXO

Structure

2D structure of BUFA-1-4-20-22-TETRAENOLIDE,14-HYDROXY-3-OXO
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 123131925

Names and identifiers

Name

BUFA-1-4-20-22-TETRAENOLIDE,14-HYDROXY-3-OXO

IUPAC name

5-((8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one

SMILES

C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=CC(=O)C=C[C@]35C

General information

Molecular formula

C24H28O4

Molecular weight

380.48 g/mol

Monoisotopic mass

380.1988 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Helleborus foetidus L. subsp. foetidus root -
Kating, H., Wissner, W. (1974). Cardioactive glycosides from the types of the genus Helleborus found in Europe and Asia minor. Pharm-Ztg, 119, 1985
Helleborus foetidus L. subsp. foetidus root -
Wifsner, W. (1973). 14-hydroxy-3-oxo-1,4,20,22-bufatetraenolide, a new compound from underground organs of Helleborus species. Planta Med, 24, 201-210