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digoxigenin

Go to external page http://purl.obolibrary.org/obo/CHEBI_42098

A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Term info

Label

digoxigenin

Synonyms
  • 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide [ IUPAC ]

charge

0

formula

C23H34O5

has alternative id

CHEBI:42096, CHEBI:38020

has obo namespace

chebi_ontology

id

CHEBI:42098

inchi

InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

inchikey

SHIBSTMRCDJXLN-KCZCNTNESA-N

mass

390.51306

monoisotopicmass

390.24062

smiles

[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2