Epitestosterone glucuronide
7269
Reference
Epitestosterone glucuronide Structure
Systematic / IUPAC Name: (17α)-3-Oxoandrost-4-en-17-yl β-D-glucopyranosiduronic acid
ID: Reference7269
Other Names: Androst-4-en-3-one, 17-(β-D-glucopyranuronosyloxy)-, (17α)-
Formula: C25H36O8
Class: Steroids/Vitamins/Hormones Endogenous Metabolites
Spectral Data
Epitestosterone glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 301 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/18/2018 10:44:47 AM |
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-RWUBDERLSA-N |
| Canonical SMILES | CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=CC(=O)CCC35C |
| CAS | |
| Splash | |
| Other Names | Androst-4-en-3-one, 17-(β-D-glucopyranuronosyloxy)-, (17α)- |