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4beta-METHYLTHIO-5beta-CHOLESTANE
SpectraBase Compound ID 4ls4Z6t4HUY
InChI InChI=1S/C28H50S/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3
InChIKey KPVKTEXKZGYLCY-UHFFFAOYSA-N
Mol Weight 421.8 g/mol
Molecular Formula C28H53S
Exact Mass 421.386798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SMYLADVGk6
Name 3beta-METHYLTHIO-20R-5alpha,14alpha,17alpha(H)-CHOLESTANE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H50S
InChI InChI=1S/C28H50S/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3
InChIKey KPVKTEXKZGYLCY-UHFFFAOYSA-N
Instrument Name VG70
Molecular Weight 418.36
SMILES C1C(SC)CC2CCC3C4CCC(C(CCCC(C)C)C)C4(C)CCC3C2(C)C1
SPLASH splash10-0aor-9840100000-af23259806be0741f9b3
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany