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Testosterone undecanoate
SpectraBase Compound ID J53m6ODAxrF
InChI InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
InChIKey UDSFVOAUHKGBEK-CNQKSJKFSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yh8bmFo5su
Name Testosterone undecanoate
CAS Registry Number 5949-44-0
Classification Pharmaceutical drug, anabolic androgenic
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 456.360345403 u
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1
InChIKey UDSFVOAUHKGBEK-CNQKSJKFSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 456.711 g/mol
Nominal Mass 456 u
Quality 977
Retention Index 3546
SMILES [C@@]12([C@]3([C@@]([C@](CC3)(OC(CCCCCCCCCC)=O)[H])(CC[C@@]1([C@@]1(C(CC2)=CC(CC1)=O)C)[H])C)[H])[H]
SPLASH splash10-05fs-2940000000-37c1a9cebccf8158870a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 17-beta-Hydroxyandrost-4-en-3-one-undecanoate
Technique GC/MS
Wiley ID DD2024_014432