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Androst-5-en-17-one, 3-[(dimethylphosphinothioyl)oxy]-, (3.beta.)-
SpectraBase Compound ID Df5FPtzE4Mz
InChI InChI=1S/C21H33O2PS/c1-20-11-9-15(23-24(3,4)25)13-14(20)5-6-16-17-7-8-19(22)21(17,2)12-10-18(16)20/h5,15-18H,6-13H2,1-4H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKey GITAPCQQVKAOEM-ZKHIMWLXSA-N
Mol Weight 380.5 g/mol
Molecular Formula C21H33O2PS
Exact Mass 380.193888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjIuooW5C78
Name Androst-5-en-17-one, 3-[(dimethylphosphinothioyl)oxy]-, (3.beta.)-
Alternate Name(s) Dimethylthiophosphinic ester of testosterone Dimethylthiophosphinic ester of dehydroepiandrosterone O-[(3beta)-17-oxoandrost-5-en-3-yl]dimethylphosphinothioate
CAS Registry Number 56871-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33O2PS
InChI InChI=1S/C21H33O2PS/c1-20-11-9-15(23-24(3,4)25)13-14(20)5-6-16-17-7-8-19(22)21(17,2)12-10-18(16)20/h5,15-18H,6-13H2,1-4H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChIKey GITAPCQQVKAOEM-ZKHIMWLXSA-N
Molecular Weight 380.527 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OP(=S)(C)C)(CC1)[H])C
SPLASH splash10-00di-1490000000-afec0533f1dfd5ee3bc5
Source of Spectrum KO-3-67-3
Wiley ID 1359743