Testosterone glucuronide

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Systematic / IUPAC Name: (17β)-3-Oxoandrost-4-en-17-yl β-D-glucopyranosiduronic acid

ID: Reference7218

Other Names: β-D-Glucopyranosiduronic acid, (17β)-3-oxoandrost-4-en-17-yl;
3-Oxoandrost-4-en-17β-yl β-D-glucopyranosiduronic acid;
b-D-Androstane glucopyranosiduronic acid;
Testosterone β-D-glucuronide;
Testosterone 17β-(β-D-glucuronide) ; more

Formula: C25H36O8

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

Spectral Data

Testosterone glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 251
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/4/2018 12:10:56 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChI Key NIKZPECGCSUSBV-HMAFJQTKSA-N
Canonical SMILES CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC(=O)CCC35C
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Other Names β-D-Glucopyranosiduronic acid, (17β)-3-oxoandrost-4-en-17-yl;
3-Oxoandrost-4-en-17β-yl β-D-glucopyranosiduronic acid;
b-D-Androstane glucopyranosiduronic acid;
Testosterone β-D-glucuronide;
Testosterone 17β-(β-D-glucuronide);
Testosterone 17-glucosiduronate;
Testosterone 17-glucosiduronic acid;
Testosterone 17-glucuronide;
Testosterone glucopyranuronoside;
Testosterone glucosiduronide;
Testosterone glucuronate;
Testosterone glucuronoside;
17β-Hydroxy-4-androsten-3-one 17-D-glucuronide

In Other Databases

ChemSpider 97270
ChEMBL CHEMBL2074651
Wikipedia Testosterone glucuronide
HMDb HMDB03193
KEGG C11134
PubChem 108192
ChEBI CHEBI:28835
ChemIDPlus 001180252