CHEBI:50785 - ethynodiol

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ChEBI Name ethynodiol
ChEBI ID CHEBI:50785
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O2
Net Charge 0
Average Mass 300.43512
Monoisotopic Mass 300.20893
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
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
Roles Classification
Biological Role(s): progestin
A synthetic progestogen.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ethynodiol (CHEBI:50785) has role progestin (CHEBI:59826)
ethynodiol (CHEBI:50785) is a 17β-hydroxy steroid (CHEBI:35343)
ethynodiol (CHEBI:50785) is a 3β-hydroxy steroid (CHEBI:36836)
ethynodiol (CHEBI:50785) is a terminal acetylenic compound (CHEBI:73477)
Incoming ethynodiol diacetate (CHEBI:31580) has functional parent ethynodiol (CHEBI:50785)
IUPAC Names
(3β,17β)-17-ethynylestr-4-ene-3,17-diol
17α-ethynylestr-4-ene-3β,17β-diol
INNs Sources
etinodiol ChemIDplus
étynodiol ChEBI
etynodiol ChemIDplus
etynodiolum ChemIDplus
Synonyms Sources
(3β,17α)-19-Norpregn-4-en-20-yne-3,17-diol ChemIDplus
17α-Ethynyl-19-norandrost-4-ene-3β,17β-diol ChemIDplus
Aethynodiolum ChemIDplus
Ethinodiol ChemIDplus
Manual Xrefs Databases
D07939 KEGG DRUG
US2843609 Patent
US3176013 Patent
View more database links
Registry Numbers Types Sources
1231-93-2 CAS Registry Number ChemIDplus
1997765 Beilstein Registry Number Beilstein
Last Modified
02 May 2013