loading...| Preferred Name |
ethynodiol diacetate |
|
| Synonyms |
(3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate 17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate Ethynodiol diacetate 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate 3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene 3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate 19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31580 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1095 Wikipedia:Ethynodiol_Diacetate KEGG:C12724 DrugBank:DB00823 CAS:297-76-7 KEGG:D01294 Beilstein:3040143 LIPID_MAPS_instance:LMST02030124 |
|
| 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 17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate Ethynodiol diacetate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate 3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene 3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne 17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate 17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate 17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate 19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol 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 |
384.23006 |
|
| 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 |
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| treeView | ||
| subClassOf |