CHEBI:71002 - 20,22-dihydrodigoxin

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ChEBI Name 20,22-dihydrodigoxin
ChEBI ID CHEBI:71002
Definition A cardanolide glycoside that is the 20,22-dihydro derivative of digoxin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H66O14
Net Charge 0
Average Mass 782.95430
Monoisotopic Mass 782.44526
InChI InChI=1S/C41H66O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h19-31,33-38,42-45,47-48H,6-18H2,1-5H3/t19-,20-,21-,22?,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
InChIKey QYVJGQUFXQMOOE-WAFGNDRNSA-N
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@]34O)C3COC(=O)C3)[C@@]1(C)CC[C@@H](C2)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
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 20,22-dihydrodigoxin (CHEBI:71002) has functional parent digoxin (CHEBI:4551)
20,22-dihydrodigoxin (CHEBI:71002) has role metabolite (CHEBI:25212)
20,22-dihydrodigoxin (CHEBI:71002) is a cardanolide glycoside (CHEBI:59029)
IUPAC Name
3β-[2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyloxy]-12β,14-dihydroxy-5β-cardanolide
Synonyms Sources
dihydrodigoxin UniProt
Dihydrodigoxin ChemIDplus
Registry Numbers Types Sources
1339019 Beilstein Registry Number ChemIDplus
1339019 Reaxys Registry Number Reaxys
5297-10-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1170963 PubMed citation Europe PMC
186468 PubMed citation Europe PMC
618648 PubMed citation Europe PMC
6501524 PubMed citation Europe PMC
657469 PubMed citation Europe PMC
673023 PubMed citation Europe PMC
7062278 PubMed citation Europe PMC
7139930 PubMed citation Europe PMC
932155 PubMed citation Europe PMC
935656 PubMed citation Europe PMC
Last Modified
10 January 2020