2-Hydroxyestradiol

enlarge

Systematic / IUPAC Name: (17β)-Estra-1,3,5(10)-triene-2,3,17-triol

ID: Reference1515

Other Names: 2-Hydroxy-17β-estradiol;
2,3,17b-Trihydroxyestra-1,3,5(10)-triene;
17β-2-Hydroxyestradiol;(17β)-estra-1,3, 5 (10)-triene-2,3,17-triol;
Estra-1,3,5(10)-triene-2,3,17β-triol;
1,3,5(10)-Estratriene-2,3,17β-triol

Formula: C18H24O3

Class: Endogenous Metabolites

Spectral Data

2-Hydroxyestradiol 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
No. of Spectral Trees 1
No. of Spectra 310
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 7:59:48 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
InChI Key DILDHNKDVHLEQB-XSSYPUMDSA-N
Canonical SMILES CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O
CAS 362050
Splash
Other Names 2-Hydroxy-17β-estradiol;
2,3,17b-Trihydroxyestra-1,3,5(10)-triene;
17β-2-Hydroxyestradiol;(17β)-estra-1,3, 5 (10)-triene-2,3,17-triol;
Estra-1,3,5(10)-triene-2,3,17β-triol;
1,3,5(10)-Estratriene-2,3,17β-triol

In Other Databases

ChemSpider 216475
KEGG C05301
PubChem 247304
ChEBI CHEBI:28744
ChEMBL CHEMBL467987
HMDb HMDB00338