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Androstan-3(alpha)-thiol-17-one

View entire compound with spectra: 1 NMR

Androstan-3(alpha)-thiol-17-one
SpectraBase Compound ID Gnv2EnjVNAv
InChI InChI=1S/C19H30OS/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3
InChIKey RZEKHIBKEZZXGH-UHFFFAOYSA-N
Mol Weight 306.51 g/mol
Molecular Formula C19H30OS
Exact Mass 306.201737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CEzhhwFBWjC
Name Androstan-3(alpha)-thiol-17-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.201736759 u
Formula C19H30OS
InChI InChI=1S/C19H30OS/c1-18-9-7-13(21)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16,21H,3-11H2,1-2H3
InChIKey RZEKHIBKEZZXGH-UHFFFAOYSA-N
Molecular Weight 306.508 g/mol
SMILES [C@@]1(CC[C@]2(C(C1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])C)(S)[H]