Terminology Service for NFDI4Health
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bufalin

Go to external page http://purl.obolibrary.org/obo/CHEBI_517248

A 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo.

Term info

Label

bufalin

Synonyms
  • (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide [ IUPAC ]

charge

0

formula

C24H34O4

has obo namespace

chebi_ontology

has related synonym

3,14-Dihydroxy-bufa-20,22-dienolide, 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide, 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide

id

CHEBI:517248

inchi

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

inchikey

QEEBRPGZBVVINN-BMPKRDENSA-N

mass

386.52440

monoisotopicmass

386.24571

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2