Testosterone isocaproate

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Systematic / IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate

ID: Reference2175

Other Names: Testosterone 17-isocaproate;
Testosterone, 17-(4-methylvalerate);
Testosterone 4-methylvalerate;
17β-Hydroxyandrost-4-ene-3-one 4-methylvalerate;
4-Androsten-17β-ol-3-one 17-(4-methylpentanoate) ; more

Formula: C25H38O3

Class: Sports Doping Drugs Therapeutics/Prescription Drugs

Spectral Data

Testosterone isocaproate 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 Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 155
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/7/2018 9:45:06 AM
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Identificators

InChI InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChI Key PPYHLSBUTAPNGT-BKWLFHPQSA-N
Canonical SMILES CC(C)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
CAS 15262869
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Other Names Testosterone 17-isocaproate;
Testosterone, 17-(4-methylvalerate);
Testosterone 4-methylvalerate;
17β-Hydroxyandrost-4-ene-3-one 4-methylvalerate;
4-Androsten-17β-ol-3-one 17-(4-methylpentanoate);
Testosterone, 17-(4-methylpentanoate);
Androst-4-en-3-one, 17-(4-methyl-1-oxopentyloxy]-

In Other Databases

PubChem 231084
ChemSpider 201317
KEGG C14663
Cayman 22547