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Testosterone isocaproate
SpectraBase Compound ID 5FW5GI7C0l5
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
InChIKey PPYHLSBUTAPNGT-BKWLFHPQSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IlIpSm7EiO
Name Testosterone isocaproate
CAS Registry Number 15262-86-9
Classification Pharmaceutical drug, anabolic androgenic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.13 (f) (84)
DEA Controlled Substance Name testosterone
DEA Controlled Substance Type Salts, esters and ethers
DEA Controlled Substances Code Number 4000
DEA Schedule Schedule III
DEA Section Anabolic Steroids. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture or preparation containing any quantity of the following substances, including its salts, esters and ethers.
Exact Mass 386.282095081 u
Formula C25H38O3
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
InChIKey PPYHLSBUTAPNGT-BKWLFHPQSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.576 g/mol
Nominal Mass 386 u
Quality 988
Retention Index 3141
SMILES [C@@]12([C@]3([C@@]([C@](CC3)(OC(CCC(C)C)=O)[H])(CC[C@@]1([C@@]1(C(CC2)=CC(CC1)=O)C)[H])C)[H])[H]
SPLASH splash10-006w-5930000000-4597b343f119e5425f77
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 17-beta-Hydroxyandrost-4-ene-3-one-4-methylvalerate
Technique GC/MS
Wiley ID DD2024_006957