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Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole (3.beta.)

View entire compound with spectra: 1 NMR, and 1 FTIR

Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole (3.beta.)
SpectraBase Compound ID 2ntEscqPTha
InChI InChI=1S/C21H32OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,15-18,22H,4-13H2,1-2H3
InChIKey WROCQXQWVLSOQA-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C21H32OS2
Exact Mass 364.189458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTDUDDXZjLP
Name Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole (3.beta.)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.189457997 u
Formula C21H32OS2
InChI InChI=1S/C21H32OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,15-18,22H,4-13H2,1-2H3
InChIKey WROCQXQWVLSOQA-UHFFFAOYSA-N
Molecular Weight 364.606 g/mol
SMILES C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC21SCCS1)C)C)O