CHEBI:42219 - digitoxigenin

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ChEBI Name digitoxigenin ChEBI ID CHEBI:42219 Definition A 5β-cardenolide that is 5β-cardanolide with hydroxy substituents at the 3β- and 14β-positions and double bond unsaturation at C(20)-C(22). Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:38073, CHEBI:42214 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C23H34O4 Net Charge 0 Average Mass 374.51366 Monoisotopic Mass 374.24571 InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 InChIKey XZTUSOXSLKTKJQ-CESUGQOBSA-N SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2 ChEBI Ontology Outgoing digitoxigenin (CHEBI:42219) has parent hydride 5β-cardanolide (CHEBI:35542) digitoxigenin (CHEBI:42219) is a 14β-hydroxy steroid (CHEBI:36862) digitoxigenin (CHEBI:42219) is a 3β-hydroxy steroid (CHEBI:36836) Incoming digitoxigenin 3-O-[β-D-glucosyl-(1→4)-α-L-acofrioside] (CHEBI:521226) has functional parent digitoxigenin (CHEBI:42219) digitoxin (CHEBI:28544) has functional parent digitoxigenin (CHEBI:42219) evomonoside (CHEBI:71000) has functional parent digitoxigenin (CHEBI:42219) neriifolin (CHEBI:7522) has functional parent digitoxigenin (CHEBI:42219) thevetin B (CHEBI:27511) has functional parent digitoxigenin (CHEBI:42219) IUPAC Name 3β,14-dihydroxy-5β-card-20(22)-enolide Synonyms Sources Cerberigenin ChemIDplus Echujetin ChemIDplus Evonogenin ChemIDplus Thevetigenin ChemIDplus Manual Xrefs Databases Digitoxigenin Wikipedia DTX PDBeChem LMST01120001 LIPID MAPS View more database links Registry Numbers Types Sources 143-62-4 CAS Registry Number ChemIDplus 95448 Beilstein Registry Number Beilstein Citation Type Source 10438974 PubMed citation Europe PMC Last Modified 27 November 2015