CHEBI:282234 - dihydrodigitoxin

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ChEBI Name dihydrodigitoxin
ChEBI ID CHEBI:282234
Definition A cardanolide glycoside that is the 20,22-dihydro derivative of digitoxin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H66O13
Net Charge 0
Average Mass 766.95490
Monoisotopic Mass 766.45034
InChI InChI=1S/C41H66O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h20-31,33-38,42-44,46-47H,6-19H2,1-5H3/t20-,21-,22-,23+,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
InChIKey WWCGMGNIMDOEGK-XWQQVMAMSA-N
SMILES [H][C@]1(COC(=O)C1)[C@@]1([H])CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1
ChEBI Ontology
Outgoing dihydrodigitoxin (CHEBI:282234) is a 14β-hydroxy steroid (CHEBI:36862)
dihydrodigitoxin (CHEBI:282234) is a 3β-hydroxy steroid (CHEBI:36836)
dihydrodigitoxin (CHEBI:282234) is a cardanolide glycoside (CHEBI:59029)
IUPAC Name
(3β,5β)-3-{[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-14-hydroxycardanolide
Synonyms Sources
20,22-Dihydrodigitoxin ChemIDplus
dihydrodigitoxin UniProt
Registry Numbers Types Sources
3786-76-3 CAS Registry Number ChemIDplus
76342 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10438974 PubMed citation Europe PMC
438353 PubMed citation Europe PMC
530320 PubMed citation Europe PMC
6315020 PubMed citation Europe PMC
Last Modified
10 January 2020