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Cholestan-3,22,26-triol 16-[2-[formylthio]ethyl]-

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Cholestan-3,22,26-triol 16-[2-[formylthio]ethyl]-
SpectraBase Compound ID 9HsWnCnsb8s
InChI InChI=1S/C30H52O4S/c1-19(17-31)5-8-27(34)20(2)28-21(11-14-35-18-32)15-26-24-7-6-22-16-23(33)9-12-29(22,3)25(24)10-13-30(26,28)4/h18-28,31,33-34H,5-17H2,1-4H3
InChIKey YKKUSUCDYNQPHI-UHFFFAOYSA-N
Mol Weight 508.8 g/mol
Molecular Formula C30H52O4S
Exact Mass 508.358631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQNUvMf5W9L
Name Cholestan-3,22,26-triol 16-[2-[formylthio]ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.358631324 u
Formula C30H52O4S
InChI InChI=1S/C30H52O4S/c1-19(17-31)5-8-27(34)20(2)28-21(11-14-35-18-32)15-26-24-7-6-22-16-23(33)9-12-29(22,3)25(24)10-13-30(26,28)4/h18-28,31,33-34H,5-17H2,1-4H3
InChIKey YKKUSUCDYNQPHI-UHFFFAOYSA-N
Molecular Weight 508.802 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC(C2C(C)C(CCC(C)CO)O)CCSC=O)C)C)O