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5.alpha.-Cholestan-19-oic acid, 2.alpha.-hydroxy-, methyl ester
SpectraBase Compound ID 14q3OfQkSNd
InChI InChI=1S/C28H48O3/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(29)17-28(20,26(30)31-5)25(22)15-16-27(23,24)4/h18-25,29H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-/m1/s1
InChIKey FZPNTRLILGDBHP-PMAMDFEJSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzpcwZdDvWp
Name 5.alpha.-Cholestan-19-oic acid, 2.alpha.-hydroxy-, methyl ester
Alternate Name(s) 2.alpha.-hydroxy-19carbomethoxy-5.alpha.-cholestane Methyl (2alpha,5alpha)-2-hydroxycholestan-19-oate
CAS Registry Number 24637-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(29)17-28(20,26(30)31-5)25(22)15-16-27(23,24)4/h18-25,29H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-/m1/s1
InChIKey FZPNTRLILGDBHP-PMAMDFEJSA-N
Molecular Weight 432.689 g/mol
SMILES O[C@@]1(C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC1)[H])[H])C(=O)OC)[H]
SPLASH splash10-00di-0009200000-989f4e6b63605738d468
Source of Spectrum O-4-379-12
Wiley ID 1382501