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Androst-5-en-17-one, 3-hydroxy-19-(2-propenylthio)-, (3.beta.)-
SpectraBase Compound ID FqikW4zePry
InChI InChI=1S/C22H32O2S/c1-3-12-25-14-22-11-8-16(23)13-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h3-4,16-19,23H,1,5-14H2,2H3/t16-,17-,18-,19-,21-,22+/m0/s1
InChIKey PKGCQWZONUOEPX-OVMLJTRSSA-N
Mol Weight 360.6 g/mol
Molecular Formula C22H32O2S
Exact Mass 360.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1VH3LTrapKt
Name Androst-5-en-17-one, 3-hydroxy-19-(2-propenylthio)-, (3.beta.)-
Alternate Name(s) (3beta)-19-(allylsulfanyl)-3-hydroxyandrost-5-en-17-one 3.beta.-hydroxy-19-allylthioandrost-5-en-17-one
CAS Registry Number 125632-00-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O2S
InChI InChI=1S/C22H32O2S/c1-3-12-25-14-22-11-8-16(23)13-15(22)4-5-17-18-6-7-20(24)21(18,2)10-9-19(17)22/h3-4,16-19,23H,1,5-14H2,2H3/t16-,17-,18-,19-,21-,22+/m0/s1
InChIKey PKGCQWZONUOEPX-OVMLJTRSSA-N
Molecular Weight 360.556 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C1)CSCC=C)[H]
SPLASH splash10-0uk9-0009000000-212cce4d1d7aa6dbaede
Source of Spectrum KC-1989-1651-9
Wiley ID 1348525