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20,22-dihydrodigoxigenin

Go to external page http://purl.obolibrary.org/obo/CHEBI_71004

A hydroxy steroid that is the 20,22-dihydro derivative of digoxigenin, consisting of 5beta-cardanolide with hydroxy groups at the 3beta-, 12beta- and 14beta-positions.

Term info

Label

20,22-dihydrodigoxigenin

Synonyms
  • 3beta,12beta,14-trihydroxy-5beta-cardanolide
database cross reference
Subsets

3_STAR

IUPAC NAME
3beta,12beta,14-trihydroxy-5beta-cardanolide [ IUPAC ]

charge

0

formula

C23H36O5

has obo namespace

chebi_ontology

has related synonym

dihydrodigoxigenin

id

CHEBI:71004

inchi

InChI=1S/C23H36O5/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/h13-19,24-25,27H,3-12H2,1-2H3/t13-,14+,15-,16+,17+,18-,19+,21-,22-,23-/m0/s1

inchikey

MWPLZPAHTHIKQB-YNFYBLEISA-N

mass

392.52890

monoisotopicmass

392.25627

smiles

[H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H](O)[C@]12C