loading...| Preferred Name | digitoxigenin | |
| Synonyms |
Thevetigenin Cerberigenin Echujetin Evonogenin 3beta,14-dihydroxy-5beta-card-20(22)-enolide |
|
| Definitions |
A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_42219 |
|
| alternative label |
Thevetigenin Cerberigenin Echujetin Evonogenin 3beta,14-dihydroxy-5beta-card-20(22)-enolide |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:DTX Beilstein:95448 CAS:143-62-4 LIPID_MAPS_instance:LMST01120001 PMID:10438974 Wikipedia:Digitoxigenin |
|
| definition |
A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). |
|
| formula |
C23H34O4 |
|
| has parent hydride | ||
| has_alternative_id |
CHEBI:42214 CHEBI:38073 |
|
| has_exact_synonym |
3beta,14-dihydroxy-5beta-card-20(22)-enolide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Thevetigenin Cerberigenin Echujetin Evonogenin |
|
| id |
CHEBI:42219 |
|
| in_subset | ||
| 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 |
|
| label |
digitoxigenin |
|
| mass |
374.51366 |
|
| monoisotopicmass |
374.24571 |
|
| notation |
CHEBI:42219 |
|
| prefLabel |
digitoxigenin |
|
| 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 |
|
| subClassOf |