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2,2-Dimethyl-5.beta.-cholestan-3-ol
SpectraBase Compound ID G0NEKaoqwI3
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h19-26,30H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25+,26?,28-,29+/m1/s1
InChIKey XQQUUPKFCOSGLB-ZBCVPHANSA-N
Mol Weight 416.7 g/mol
Molecular Formula C29H52O
Exact Mass 416.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RnwwdcGDCo
Name 2,2-Dimethyl-5.beta.-cholestan-3-ol
CAS Registry Number 113725-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O
InChI InChI=1S/C29H52O/c1-19(2)9-8-10-20(3)23-13-14-24-22-12-11-21-17-26(30)27(4,5)18-29(21,7)25(22)15-16-28(23,24)6/h19-26,30H,8-18H2,1-7H3/t20-,21-,22+,23-,24+,25+,26?,28-,29+/m1/s1
InChIKey XQQUUPKFCOSGLB-ZBCVPHANSA-N
Molecular Weight 416.734 g/mol
SMILES OC1C[C@@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(CC1(C)C)C)[H]
SPLASH splash10-002b-0019000000-eaa4032c7e81d996abb4
Source of Spectrum AJ-60-1081-32
Synonyms (5beta)-2,2-dimethylcholestan-3-ol
Wiley ID 1376716