17α-Ethynylestradiol

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Systematic / IUPAC Name: 17-Ethynylestra-1,3,5(10)-triene-3,17-diol

ID: Reference285

Other Names: 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene;
3,17-β-Dihydroxy-17-α-ethynyl-1,3,5(10)-estratriene;
3,17-β-Dihydroxy-17-α-ethynyl-1,3,5(10)-oestratriene;
Ginestrene;
Estinyl ; more

Formula: C20H24O2

Class: Endogenous Metabolites

Spectral Data

17α-Ethynylestradiol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 348
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/8/2014 3:05:41 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H24O2/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/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
InChI Key BFPYWIDHMRZLRN-SLHNCBLASA-N
Canonical SMILES Oc1cc4c(cc1)C3CCC2(C(CCC2(C#C)O)C3CC4)C
CAS 57636
Splash
Other Names 17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene;
3,17-β-Dihydroxy-17-α-ethynyl-1,3,5(10)-estratriene;
3,17-β-Dihydroxy-17-α-ethynyl-1,3,5(10)-oestratriene;
Ginestrene;
Estinyl;
Progynon C;
Amenoron;
Dyloform;
Ethinoral;
Eticyclin;
Eticyclol;
Etinestrol;
Etinestryl;
Etinoestryl;
Etistradiol;
Follicoral;
Novestrol;
Orestralyn;
Primogyn;
Spanestrin;
Ertonyl;
Esteed;
Estigyn;
Estoral;
Ethidol;
Inestra;
Linoral;
Lynoral;
Menolyn;
Oradiol;
17-Ethinylestradiol;
Neo-estrone;
Primogyn C;
Primogyn M;
Nogest-S;
Eston-E;
Microfollin;
Feminone;
Palonyl;
Perovex;
Ethinylestriol;
Amenorone;
Estopherol;
Eticylol;
Orestrayln;
Ylestrol;
Anovlar;
Diprol;
17-Ethynylestradiol;
17-Ethinyl-3,17-estradiol;
17-Ethinyl-3,17-oestradiol;
17-Ethynyloestradiol;
Ethynyloestradiol;
O-Cyclen;
Diognat-E;
Ethinyl-oestranol;
Diogyn-E;
17α-Ethinylestradiol;
Aethinyloestradiolum;
Halodrin;
Kolpolyn;
Etivex;
Progynon M;
Cyclosa;
Dicromil;
Prosexol;
17α-Ethynyloestradiol;
17α-Ethinylestra-1,3,5(10)-triene-3,17β-diol;
17α-Ethinyloestra-1,3,5(10)-triene-3,17β-diol;
(17β)-17-Ethynylestra-1(10),2,4-triene-3,17-diol;
Estra-1,3,5(10)-triene-3,17β-diol, 17α-ethynyl-;
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol;
19-Nor-1,3,5(10),17α-pregnatrien-20-yne-3,17-diol

In Other Databases

KEGG C07534; D00554
Wikipedia Ethinylestradiol
ChemIDPlus 000057636; 008056517; 039366375; 037270716; 079871548; 071138357; 008003085; 053568846; 008015198; 008064662
ChemSpider 3170; 21236475
ChEMBL CHEMBL691
HMDb HMDB01926
DrugBank APRD00691
ChEBI CHEBI:4903
PubChem 5991