Androsterone glucuronide

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Systematic / IUPAC Name: (3α,5α)-17-Oxoandrostan-3-yl β-D-glucopyranosiduronic acid

ID: Reference322

Other Names: 3α-Hydroxy-5α-androstan-17-one glucuronide;
Androsterone glucosiduronate;
Androsterone 3-glucuronide;
Androsterone glucuronoside;
β-D-17-Oxo-5α-androstan-3α-yl glucopyranosiduronic acid

Formula: C25H38O8

Class: Endogenous Metabolites Sports Doping Drugs

Spectral Data

Androsterone 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 121
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/15/2014 2:47:43 PM
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Identificators

InChI InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
InChI Key VFUIRAVTUVCQTF-BSOWLZGZSA-N
Canonical SMILES O=C5C4(C)CCC3C(CCC2CC(OC1OC(C(=O)O)C(O)C(O)C1O)CCC23C)C4CC5
CAS 1852433
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Other Names 3α-Hydroxy-5α-androstan-17-one glucuronide;
Androsterone glucosiduronate;
Androsterone 3-glucuronide;
Androsterone glucuronoside;
β-D-17-Oxo-5α-androstan-3α-yl glucopyranosiduronic acid;
β-D-Glucopyranosiduronic acid, (3α,5α)-17-oxoandrostan-3-yl

In Other Databases

ChemSpider 102793
HMDb HMDB02829
PubChem 114833
KEGG C11135
ChEBI CHEBI:28832
ChemIDPlus 001852433