Estradiol benzoate

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Systematic / IUPAC Name: (17β)-17-Hydroxyestra-1(10),2,4-trien-3-yl benzoate

ID: Reference5873

Other Names: β-Estradiol 3-benzoate;
β-Estradiol benzoate;
17β-Estradiol 3-benzoate;
17β-Estradiol monobenzoate;
Agofollin depot ; more

Formula: C25H28O3

Class: Endogenous Metabolites

Spectral Data

Estradiol benzoate 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/1/2016 9:22:22 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChI Key UYIFTLBWAOGQBI-BZDYCCQFSA-N
Canonical SMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5
CAS 50500
Splash
Other Names β-Estradiol 3-benzoate;
β-Estradiol benzoate;
17β-Estradiol 3-benzoate;
17β-Estradiol monobenzoate;
Agofollin depot;
Benovocylin;
Benzhormovarine;
Benzoestrofol;
Benzofoline;
Benzogynestryl;
Benzogynoestryl;
Benzoic acid estradiol;
Benztrone;
De Graafina;
Diffollisterol;
Difolliculine;
Dihydroestrin benzoate;
Dihydrofolliculin benzoate;
Dihydrofolliculine benzoate;
Dimenformon benzoate;
Dimenformone;
Diogyn B;
EBZ;
Eston-B;
Estra-1,3,5(10)-triene-3,17β-diol 3-benzoate;
Estradiol, 3-benzoate;
Estradiol-17β 3-benzoate;
Estradioli benzoas;
Estrogin;
Follicormon;
Follidrin;
Folone;
Graafina;
Gynecormone;
Gynformone;
Hidroestron;
Hormogynon;
Mesalin;
Oestradiol 3-benzoate;
Oestradiol benzoate;
Oestradiol monobenzoate;
Ovahormon benzoate;
Ovasterol-B;
Ovocyclin m;
Ovocyclin benzoate;
Ovocyclin-MB;
Primogyn B;
Primogyn B oleosum;
Primogyn I;
Progynon benzoate;
Recthormone oestradiol;
Solestro;
Unistradiol;
(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl benzoate;
[(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;
3-Benzoyloxy-17β-estrol;
Benzoic acid [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester;
Hydroxyestrin benzoate;
17β-Oestradiol benzoate ;
E2 Benzoate

In Other Databases

PubChem 222757
KEGG D01953; C13444
ChEMBL CHEMBL282575
ChEBI CHEBI:77006
ChemSpider 193412
Wikipedia Estradiol benzoate