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Androst-5-en-17-one, 3-(acetyloxy)-19-[(methylsulfonyl)thio]-, (3.beta.)-
SpectraBase Compound ID C1a87loTGla
InChI InChI=1S/C22H32O5S2/c1-14(23)27-16-8-11-22(13-28-29(3,25)26)15(12-16)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h4,16-19H,5-13H2,1-3H3/t16-,17-,18-,19-,21-,22+/m0/s1
InChIKey QNBQMWPKCXXYMA-OVMLJTRSSA-N
Mol Weight 440.6 g/mol
Molecular Formula C22H32O5S2
Exact Mass 440.169116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZwcttOz7Yq
Name Androst-5-en-17-one, 3-(acetyloxy)-19-[(methylsulfonyl)thio]-, (3.beta.)-
CAS Registry Number 82353-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5S2
InChI InChI=1S/C22H32O5S2/c1-14(23)27-16-8-11-22(13-28-29(3,25)26)15(12-16)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h4,16-19H,5-13H2,1-3H3/t16-,17-,18-,19-,21-,22+/m0/s1
InChIKey QNBQMWPKCXXYMA-OVMLJTRSSA-N
Molecular Weight 440.613 g/mol
SMILES [C@]12(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C[C@@](OC(=O)C)(CC1)[H])CSS(=O)(=O)C
SPLASH splash10-0udi-0039000000-4a9903020de9cb6f7079
Source of Spectrum KC-1989-1651-8
Synonyms (3beta)-19-{[methyl(dioxido)sulfanyl]sulfanyl}-17-oxoandrost-5-en-3-yl acetate 3.beta.-acetoxy-19-methylsulphonylthioandrost-5-en-17-one
Wiley ID 1384611