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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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 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