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Cholestane-3.beta.-thiol
SpectraBase Compound ID ARJFxoSdT6Y
InChI InChI=1S/C27H48S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey NPKSASBYOFFFMJ-UJOPKFNNSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48S
Exact Mass 404.347673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D36sudJ5Ojj
Name Cholestane-3.beta.-thiol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48S
InChI InChI=1S/C27H48S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey NPKSASBYOFFFMJ-UJOPKFNNSA-N
Molecular Weight 404.741 g/mol
SMILES S[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-0fr2-0090100000-dc64f15cf6fa384d298e
Source of Spectrum AT-32-2958-1
Synonyms (3beta)-cholestane-3-thiol
Wiley ID 835884