β-Estradiol

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Systematic / IUPAC Name: (17β)-Estra-1(10),2,4-triene-3,17-diol

ID: Reference3397

Other Names: α-Oestradiol;
(+)-3,17β-Estradiol;
(17b)-Estra-1,3,5(10)-triene-3,17-diol;
cis-Estradiol;
cis-Oestradiol ; more

Formula: C18H24O2

Class: Endogenous Metabolites Steroids/Vitamins/Hormones Therapeutics/Prescription Drugs

Spectral Data

β-Estradiol 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; Orbitrap Fusion with FAIMS
No. of Spectral Trees 3
No. of Spectra 2431
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/19/2020 10:19:33 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChI Key VOXZDWNPVJITMN-ZBRFXRBCSA-N
Canonical SMILES CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
CAS 50282
Splash
Other Names α-Oestradiol;
(+)-3,17β-Estradiol;
(17b)-Estra-1,3,5(10)-triene-3,17-diol;
cis-Estradiol;
cis-Oestradiol;
1,3,5-Estratriene-3,17β-diol;
17β Estradiol (E2);
17β Oestradiol;
17β-Estra-1,3,5(10)-triene-3,17-diol;
17β-Estradiol;
17β-Oestra-1,3,5(10)-triene-3,17-diol;
17-β-OH-Estradiol;
17b-Estradiol;
17b-Oestradiol;
3,17β-Estradiol;
3,17-β-Oestradiol;
3,17b-Estradiol;
Aerodiol;
Alora;
Altrad;
Amnestrogen;
Aquadiol;
Bardiol;
B-Estradiol;
Bio-E-gel;
Climaderm;
Climara;
Climara forte;
Compudose;
Corpagen;
D-3,17β-Estradiol;
D-3,17β-Oestradiol;
Dermestril;
Destradiol;
Dihydrofolliculin;
Dihydromenformon;
Dihydrotheelin;
Dimenformon;
Diogyn;
Diogynets;
Divigel;
D-Oestradiol;
Elestrin;
Encore;
Epiestriol 50;
Estra-1(10),2,4-triene-3,17-diol, (17β)-;
Estra-1,3,5(10)-triene-3,17β-diol;
Estra-1,3,5(10)-triene-3,17-diol (17β)-;
Estrace;
Estraderm;
Estradiol;
Estradiol, β-;
Estradiol-17β;
Estradiol-3,17β;
Estradiol-acrux;
Estradiolum;
Estradot;
Estraldine;
Estrapak 50;
Estrasorb;
Estreva;
Estrifam;
Estring;
Estroclim;
Estroclim 50;
Estrofem 2;
Estrofem forte;
Estrogel;
Estrovite;
Evamist;
Evorel;
Extrasorb;
Femanest;
Femestral;
Femestrol;
Femogen;
Fempatch;
Femtran;
Follicyclin;
Gelestra;
Ginedisc;
Ginosedol;
Gynergon;
Gynestrel;
Gynoestryl;
Gynpolar;
Idi1_002118;
Innofem;
Lamdiol;
Macrodiol;
Macrol;
Menest;
Menorest;
Menostar;
Microdiol;
Minivelle;
Nordicol;
Oesclim;
Oestergon;
Oestra-1,3,5(10)-triene-3,17β-diol;
Oestradiol-17β;
Oestradiolum;
Oestrodiol;
Oestrogel;
Oestroglandol;
Oestrogynal;
Ovasterol;
Ovastevol;
Ovociclina;
Ovocyclin;
Ovocycline;
Ovocylin;
Perlatanol;
Primofol;
Profoliol;
Profoliol B;
Progynon;
Progynon DH;
Sandrena 1;
Sandrena gel;
Sisare gel;
Syndiol;
Systen;
Theelin, dihydro-;
Tradelia;
Trial sat;
Trocosone;
Vagifem;
Vivelle;
Vivelle-dot;
Zerella;
Zesteem;
Zesteen;
Zumenon;
(8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;
(8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;
13β-Methyl-1,3,5(10)-gonatriene-3,17β-ol;
3,17β-Dihydroxy-1,3,5(10)-estratriene;
3,17-β-Dihydroxy-1,3,5(10)-oestratriene;
3,17β-Dihydroxyestra-1,3,5(10)-triene;
3,17β-Dihydroxyestra-1,3,5-triene;
3,17β-Dihydroxyoestra-1,3,5-triene;
3,17b-Dihydroxyestra-1,3,5(10)-triene;
3,17-Epidihydroxyestratriene;
3,17-Epidihydroxyoestratriene;
Dihydroxyesterin;
Dihydroxyestrin;
Dihydroxyoestrin

In Other Databases

DrugBank DB00783
PubChem 5757
ChemSpider 5554
LipidsMAPs LMST02010001
Wikipedia Estradiol
ChemIDPlus 000050282; 001323519; 008055332; 073459617; 064867192; 039450185; 051248705; 077728337; 062057276
ChEBI CHEBI:16469
HMDb HMDB00151