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3,3-Ethylenedithio-4-cholestene

View entire compound with spectra: 1 NMR

3,3-Ethylenedithio-4-cholestene
SpectraBase Compound ID J1wIKZPI4fW
InChI InChI=1S/C29H48S2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h19-21,23-26H,6-18H2,1-5H3
InChIKey ZVQGNXVEMQLIQF-UHFFFAOYSA-N
Mol Weight 460.8 g/mol
Molecular Formula C29H48S2
Exact Mass 460.319744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28mJk8l26aB
Name 3,3-Ethylenedithio-4-cholestene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.319743894 u
Formula C29H48S2
InChI InChI=1S/C29H48S2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-29(30-17-18-31-29)16-15-27(22,4)26(23)13-14-28(24,25)5/h19-21,23-26H,6-18H2,1-5H3
InChIKey ZVQGNXVEMQLIQF-UHFFFAOYSA-N
Molecular Weight 460.823 g/mol
SMILES C12(CCC3(C(=C2)CCC2C3CCC3(C2CCC3C(C)CCCC(C)C)C)C)SCCS1