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5.alpha.-Cholestan-6-one, cyclic ethylene mercaptole
SpectraBase Compound ID 2VyyGSmogLt
InChI InChI=1S/C29H50S2/c1-20(2)9-8-10-21(3)23-12-13-24-22-19-29(30-17-18-31-29)26-11-6-7-15-28(26,5)25(22)14-16-27(23,24)4/h20-26H,6-19H2,1-5H3
InChIKey JDSZAEGZNJDHFY-UHFFFAOYSA-N
Mol Weight 462.8 g/mol
Molecular Formula C29H50S2
Exact Mass 462.335394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ropsNDt9qc
Name 5.alpha.-Cholestan-6-one, cyclic ethylene mercaptole
Alternate Name(s) 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,2'-1,3-dithiolane] 17-(1,5-dimethylhexyl)-10,13-dimethyl-spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,2'-1,3-dithiolane]
CAS Registry Number 17690-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50S2
InChI InChI=1S/C29H50S2/c1-20(2)9-8-10-21(3)23-12-13-24-22-19-29(30-17-18-31-29)26-11-6-7-15-28(26,5)25(22)14-16-27(23,24)4/h20-26H,6-19H2,1-5H3
InChIKey JDSZAEGZNJDHFY-UHFFFAOYSA-N
Molecular Weight 462.839 g/mol
SMILES CC12C(C3(CC4C2CCC2(C4CCC2C(CCCC(C)C)C)C)SCCS3)CCCC1
SPLASH splash10-0abc-9777000000-2d42893095e1e3065790
Source of Spectrum SD-1981-0-0
Wiley ID 1391187