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CHEBI:38095 - diginatigenin

ChEBI IDCHEBI:38095
ChEBI Namediginatigenin
Stars
Last Modified20 April 2007
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H34O6
Net Charge0
Average Mass406.519
Monoisotopic Mass406.23554
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@@]4(C)[C@]3(O)C[C@H](O)[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C23H34O6/c1-21-6-5-14(24)8-13(21)3-4-15-16(21)9-18(26)22(2)20(12-7-19(27)29-11-12)17(25)10-23(15,22)28/h7,13-18,20,24-26,28H,3-6,8-11H2,1-2H3/t13-,14+,15-,16+,17+,18-,20+,21+,22-,23+/m1/s1
InChIKeyDICIZKAHXOVVHI-BOYBCVSISA-N
ChEBI Ontology
Outgoing Relation(s)
diginatigenin (CHEBI:38095) has parent hydride 5β-cardanolide (CHEBI:35542)
diginatigenin (CHEBI:38095) is a 12β-hydroxy steroid (CHEBI:36847)
diginatigenin (CHEBI:38095) is a 14β-hydroxy steroid (CHEBI:36862)
diginatigenin (CHEBI:38095) is a 16β-hydroxy steroid (CHEBI:17354)
diginatigenin (CHEBI:38095) is a 3β-hydroxy steroid (CHEBI:36836)
Incoming Relation(s)
diginatin (CHEBI:27614) has functional parent diginatigenin (CHEBI:38095)
IUPAC Name 
3β,12β,14,16β-tetrahydroxy-5β-card-20(22)-enolide
Registry NumbersSources
Beilstein:1666888Beilstein