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Androstan-17-one, 3-[(dimethylphosphinothioyl)oxy]-, (3.alpha.,5.beta.)-
SpectraBase Compound ID 8KCI8wQnZiT
InChI InChI=1S/C21H35O2PS/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/h14-18H,5-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+/m1/s1
InChIKey WOILGVSLDQIRMS-YHKBIIBQSA-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 1XNkPB0Lm6P
Name Androstan-17-one, 3-[(dimethylphosphinothioyl)oxy]-, (3.alpha.,5.beta.)-
CAS Registry Number 56871-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H35O2PS
InChI InChI=1S/C21H35O2PS/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/h14-18H,5-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+/m1/s1
InChIKey WOILGVSLDQIRMS-YHKBIIBQSA-N
Molecular Weight 382.543 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CC[C@@]2(C[C@](OP(=S)(C)C)(CC1)[H])[H])[H])C
SPLASH splash10-03di-0910000000-cd3a972343740b6f6fb5
Source of Spectrum KO-3-67-3
Synonyms Dimethylthiophosphinic ester of 3.alpha.-etiocholanolone O-[(3alpha,5beta)-17-oxoandrostan-3-yl]dimethylphosphinothioate
Wiley ID 1360581