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6-thia-5.beta.-cholestane
SpectraBase Compound ID 9Um9Zh3nANM
InChI InChI=1S/C26H46S/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-27-24-11-6-7-15-26(24,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-/m1/s1
InChIKey AQPSQNVCEVIAOP-XHGRUUOTSA-N
Mol Weight 390.7 g/mol
Molecular Formula C26H46S
Exact Mass 390.332023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPHvAMyu7m8
Name 6-thia-5.beta.-cholestane
CAS Registry Number 96093-89-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46S
InChI InChI=1S/C26H46S/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-27-24-11-6-7-15-26(24,5)23(20)14-16-25(21,22)4/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,25-,26-/m1/s1
InChIKey AQPSQNVCEVIAOP-XHGRUUOTSA-N
Molecular Weight 390.714 g/mol
SMILES [C@@]12([C@]([C@@]3(CS[C@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00di-0009000000-519d2e67256811cab162
Source of Spectrum J-55-2174-29
Synonyms (1R,3aS,3bS,5aR,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethylhexadecahydroindeno[4,5-c][1]benzothiopyran
Wiley ID 1365176