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4,4-Dimethyl-3-oxa-5.alpha.-cholestane

View entire compound with spectra: 1 MS (GC)

4,4-Dimethyl-3-oxa-5.alpha.-cholestane
SpectraBase Compound ID LrG0JNEy29o
InChI InChI=1S/C28H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-26(4,5)29-18-17-28(25,7)24(21)15-16-27(22,23)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey LAFCTQLIMPWTQT-FZCXCLJFSA-N
Mol Weight 402.7 g/mol
Molecular Formula C28H50O
Exact Mass 402.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B478oCxztDs
Name 4,4-Dimethyl-3-oxa-5.alpha.-cholestane
Alternate Name(s) (4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-1,1,4a,6a-tetramethylhexadecahydrocyclopenta[5,6]naphtho[2,1-c]pyran
CAS Registry Number 83626-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H50O
InChI InChI=1S/C28H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-26(4,5)29-18-17-28(25,7)24(21)15-16-27(22,23)6/h19-25H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,25+,27-,28-/m1/s1
InChIKey LAFCTQLIMPWTQT-FZCXCLJFSA-N
Molecular Weight 402.707 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCOC4(C)C)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-014r-0009000000-8762f33606ccddf99fa1
Source of Spectrum J-49-3759-0
Wiley ID 1370735