loading...| Preferred Name |
ethynodiol diacetate |
| Synonyms |
(3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate 3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate Ethynodiol diacetate 19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate 17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate 3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate |
| ID |
http://purl.obolibrary.org/obo/CHEBI_31580 |
| charge |
0 |
| database_cross_reference |
CAS:297-76-7 KEGG:D01294 Drug_Central:1095 Beilstein:3040143 DrugBank:DB00823 Wikipedia:Ethynodiol_Diacetate LIPID_MAPS_instance:LMST02030124 KEGG:C12724 |
| formula |
C24H32O4 |
| has functional parent | |
| has role |
http://purl.obolibrary.org/obo/CHEBI_50739 |
| has_exact_synonym |
(3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate Ethynodiol diacetate 17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate 19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate 3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate |
| id |
CHEBI:31580 |
| in_subset | |
| inchi |
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1 |
| inchikey |
ONKUMRGIYFNPJW-KIEAKMPYSA-N |
| label |
ethynodiol diacetate |
| mass |
384.50848 |
| monoisotopicmass |
384.230 |
| notation |
CHEBI:31580 |
| prefLabel |
ethynodiol diacetate |
| smiles |
[H][C@]12CC[C@H](OC(C)=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(OC(C)=O)C#C |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47525 | National Cancer Institute Thesaurus | LOOM | |
| http://purl.bioontology.org/ontology/MESH/D005040 | Medical Subject Headings | LOOM |