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 Google Search
Mol Weight	508.8 g/mol
Molecular Formula	C30H52O4S
Exact Mass	508.358631 g/mol

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SpectraBase Spectrum ID	D2xiZUXmQCh
Name	Cholestan-3,22,26-triol 16-[2-[formylthio]ethyl]-
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.876305