loading...| Preferred Name |
ethynodiol |
|
| Synonyms |
17alpha-ethynylestr-4-ene-3beta,17beta-diol (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol etynodiolum Aethynodiolum (3beta,17alpha)-19-Norpregn-4-en-20-yne-3,17-diol 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17beta-diol Ethinodiol etinodiol etynodiol |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50785 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US2843609 Patent:US3176013 Beilstein:1997765 KEGG:D07939 CAS:1231-93-2 |
|
| formula |
C20H28O2 |
|
| has role | ||
| has_exact_synonym |
17alpha-ethynylestr-4-ene-3beta,17beta-diol (3beta,17beta)-17-ethynylestr-4-ene-3,17-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
etynodiolum Aethynodiolum (3beta,17alpha)-19-Norpregn-4-en-20-yne-3,17-diol 17alpha-Ethynyl-19-norandrost-4-ene-3beta,17beta-diol Ethinodiol etinodiol etynodiol |
|
| has_RxCUI |
24591 |
|
| id |
CHEBI:50785 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,14-18,21-22H,4-11H2,2H3/t14-,15-,16+,17+,18-,19-,20-/m0/s1 |
|
| inchikey |
JYILPERKVHXLNF-QMNUTNMBSA-N |
|
| label |
ethynodiol |
|
| mass |
300.43512 |
|
| monoisotopicmass |
300.20893 |
|
| notation |
CHEBI:50785 |
|
| prefLabel |
ethynodiol |
|
| smiles |
[H][C@]12CC[C@H](O)C=C1CC[C@]1([H])[C@]2([H])CC[C@@]2(C)[C@@]1([H])CC[C@@]2(O)C#C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_73477 |