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Androst-5-en-17-one, 3-(acetyloxy)-19-mercapto-, (3.beta.)-
SpectraBase Compound ID Ci3DnILT4rU
InChI InChI=1S/C21H30O3S/c1-13(22)24-15-7-10-21(12-25)14(11-15)3-4-16-17-5-6-19(23)20(17,2)9-8-18(16)21/h3,15-18,25H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey CSDCBYKZSWOQOK-JPRZGNOKSA-N
Mol Weight 362.53 g/mol
Molecular Formula C21H30O3S
Exact Mass 362.191566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyZoWX63lSk
Name Androst-5-en-17-one, 3-(acetyloxy)-19-mercapto-, (3.beta.)-
Alternate Name(s) (3beta)-17-oxo-19-sulfanylandrost-5-en-3-yl acetate 3.beta.-acetoxy-19-mercaptoandrost-5-en-17-one
CAS Registry Number 125631-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O3S
InChI InChI=1S/C21H30O3S/c1-13(22)24-15-7-10-21(12-25)14(11-15)3-4-16-17-5-6-19(23)20(17,2)9-8-18(16)21/h3,15-18,25H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
InChIKey CSDCBYKZSWOQOK-JPRZGNOKSA-N
Molecular Weight 362.528 g/mol
SMILES SC[C@@]12C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OC(=O)C)(CC1)[H]
SPLASH splash10-0pb9-0079000000-ef1f4055372cbb53ee6c
Source of Spectrum KC-1989-1651-8
Wiley ID 1349698