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o-3.beta.-Cholestanyl S-methyl dithiocarbonate
SpectraBase Compound ID FeTTB7gwJ3T
InChI InChI=1S/C29H50OS2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-27(31)32-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey ABWRTQKOKFBTFA-TZKFFSPUSA-N
Mol Weight 478.8 g/mol
Molecular Formula C29H50OS2
Exact Mass 478.330309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3WIvxT6U8O
Name O-3.beta.-Cholestanyl S-Methyl Dithiocarbonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50OS2
InChI InChI=1S/C29H50OS2/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-27(31)32-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23?,24-,25?,26?,28+,29-/m1/s1
InChIKey ABWRTQKOKFBTFA-TZKFFSPUSA-N
Molecular Weight 478.838 g/mol
SMILES [C@@]12(C(C3CCC4[C@@](C3CC2)(CC[C@](OC(=S)SC)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-00e9-9307000000-7216952f9652ef7befcb
Source of Spectrum AJ-73-479-2
Synonyms O-[(3beta)-cholestan-3-yl]S-methyl dithiocarbonate
Wiley ID 775292