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3.beta.-Hydroxy-26,27-dimethyl-5.alpha.-cholestan-24-one
SpectraBase Compound ID IMu9r9pmb2
InChI InChI=1S/C29H50O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26,30H,6-18H2,1-5H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HMNYWLDELSGVJL-AMPBYXCMSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmnTfyO0XDn
Name 3.beta.-Hydroxy-26,27-dimethyl-5.alpha.-cholestan-24-one
CAS Registry Number 71031-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-6-20(7-2)27(31)13-8-19(3)24-11-12-25-23-10-9-21-18-22(30)14-16-28(21,4)26(23)15-17-29(24,25)5/h19-26,30H,6-18H2,1-5H3/t19-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
InChIKey HMNYWLDELSGVJL-AMPBYXCMSA-N
Molecular Weight 430.717 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCC(=O)C(CC)CC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00di-9052200000-dc37723df9b9844a6c8a
Source of Spectrum J-44-3387-0
Synonyms (7R)-3-ethyl-7-[(1S,2S,5S,7S,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]octan-4-one
Wiley ID 1381820