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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50785 - ethynodiol
Main
ChEBI Ontology
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ChEBI Name
ethynodiol
ChEBI ID
CHEBI:50785
Stars
This entity has been manually annotated by the ChEBI Team.
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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