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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 9VGP16SuNlJ
Name 3alpha(METHYLTHIO),5beta(H),14alpha(H),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 422.39
SMILES [SH](C)C1CC2CCC3C(CCC4(C(CCC34[HH])C(CCCC(C)C)C)C)C2(CC1)C
SPLASH splash10-0aor-9842100000-ed33ee6009a5c823b106
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany