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5.alpha.-Cholestane-3-thione
SpectraBase Compound ID 4esVlQcAqKm
InChI InChI=1S/C27H46S/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QIPFNQZDJQOLBC-UXIWKSIVSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46S
Exact Mass 402.332023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Tn5CkSm5aL
Name 5.alpha.-Cholestane-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46S
InChI InChI=1S/C27H46S/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey QIPFNQZDJQOLBC-UXIWKSIVSA-N
Molecular Weight 402.725 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=S)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0uxr-0259600000-ae73da2d0805899543c3
Source of Spectrum AT-39-450-6
Synonyms (5alpha)-cholestane-3-thione
Wiley ID 854161