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3,3-Ethylenedithio-4-cholesten-2alpha-ol

View entire compound with spectra: 1 NMR

3,3-Ethylenedithio-4-cholesten-2alpha-ol
SpectraBase Compound ID Cua8TnRma9r
InChI InChI=1S/C29H48OS2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)26(30)18-28(21,5)25(22)13-14-27(23,24)4/h17,19-20,22-26,30H,6-16,18H2,1-5H3
InChIKey JOQYUBUWLLORCT-UHFFFAOYSA-N
Mol Weight 476.8 g/mol
Molecular Formula C29H48OS2
Exact Mass 476.314659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LoDeK1VCqWP
Name 3,3-Ethylenedithio-4-cholesten-2alpha-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.314658513 u
Formula C29H48OS2
InChI InChI=1S/C29H48OS2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21-17-29(31-15-16-32-29)26(30)18-28(21,5)25(22)13-14-27(23,24)4/h17,19-20,22-26,30H,6-16,18H2,1-5H3
InChIKey JOQYUBUWLLORCT-UHFFFAOYSA-N
Molecular Weight 476.822 g/mol
SMILES C12(C(CC3(C(=C2)CCC2C3CCC3(C2CCC3C(C)CCCC(C)C)C)C)O)SCCS1