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3,3-DIMETHOXY-5-ALPHA-CHOLESTANE
SpectraBase Compound ID HwxgjApp6Ju
InChI InChI=1S/C29H52O2/c1-20(2)9-8-10-21(3)24-13-14-25-23-12-11-22-19-29(30-6,31-7)18-17-27(22,4)26(23)15-16-28(24,25)5/h20-26H,8-19H2,1-7H3/t21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey GAQBBTSXSYYOIK-JQLPBIJHSA-N
Mol Weight 432.7 g/mol
Molecular Formula C29H52O2
Exact Mass 432.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65aslkK8IVr
Name (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CAS Registry Number 16159-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O2
InChI InChI=1S/C29H52O2/c1-20(2)9-8-10-21(3)24-13-14-25-23-12-11-22-19-29(30-6,31-7)18-17-27(22,4)26(23)15-16-28(24,25)5/h20-26H,8-19H2,1-7H3/t21-,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey GAQBBTSXSYYOIK-JQLPBIJHSA-N
Molecular Weight 432.733 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(OC)(OC)C4)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0udi-6902500000-cafbba54735b6daf90b7
Source of Spectrum OS-5-154-0
Synonyms (5S,8R,9S,10S,13R,14S,17R)-3,3-dimethoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Wiley ID 1382540