Estrone sulfate

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Systematic / IUPAC Name: 17-Oxoestra-1,3,5(10)-trien-3-yl sulfate

ID: Reference1416

Other Names: 3-Hydroxyestra-1,3,5(10)-trien-17-one sulphate;
Estrone sulphate;
Estrone-3-sulfate;
Conestoral;
Premarin ; more

Formula: C18H22O5S

Class: Endogenous Metabolites

Spectral Data

Estrone sulfate 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 179
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/3/2014 2:36:45 PM
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Identificators

InChI InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1
InChI Key JKKFKPJIXZFSSB-CBZIJGRNSA-N
Canonical SMILES
CAS 481970
Splash
Other Names 3-Hydroxyestra-1,3,5(10)-trien-17-one sulphate;
Estrone sulphate;
Estrone-3-sulfate;
Conestoral;
Premarin;
Estra-1(10),2,4-trien-17-one, 3-(sulfooxy)-;
Estrone-3-sulphate

In Other Databases

ChemIDPlus 000438675; 001240046
KEGG D00312; C02538
ChEBI CHEBI:17474
HMDb HMDB01425
PubChem 3001028
ChEMBL CHEMBL494753
ChemSpider 2272513
Wikipedia Estrone_sulfate