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Androstan-3-one, 17-[(dimethylphosphinothioyl)oxy]-, (5.alpha.,17.beta.)-
SpectraBase Compound ID 27kfhGYBtyp
InChI InChI=1S/C21H35O2PS/c1-20-11-9-15(22)13-14(20)5-6-16-17-7-8-19(23-24(3,4)25)21(17,2)12-10-18(16)20/h14,16-19H,5-13H2,1-4H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey LCFQAVDTENWLHE-NGFSFWIMSA-N
Mol Weight 382.5 g/mol
Molecular Formula C21H35O2PS
Exact Mass 382.209539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QzMVvcn2vn
Name Androstan-3-one, 17-[(dimethylphosphinothioyl)oxy]-, (5.alpha.,17.beta.)-
Alternate Name(s) Dimethylthiophosphinic ester of 5.alpha.-dihydrotestosterone O-[(5alpha,17beta)-3-oxoandrostan-17-yl]dimethylphosphinothioate
CAS Registry Number 56871-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35O2PS
InChI InChI=1S/C21H35O2PS/c1-20-11-9-15(22)13-14(20)5-6-16-17-7-8-19(23-24(3,4)25)21(17,2)12-10-18(16)20/h14,16-19H,5-13H2,1-4H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1
InChIKey LCFQAVDTENWLHE-NGFSFWIMSA-N
Molecular Weight 382.543 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(OP(=S)(C)C)[H])[H])C
SPLASH splash10-03di-1910000000-87975cd476e7e7319628
Source of Spectrum KO-3-67-3
Wiley ID 1360583