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5-ALPHA-CHOLESTAN-3-BETA-6-ALPHA-DIOL

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5-ALPHA-CHOLESTAN-3-BETA-6-ALPHA-DIOL
SpectraBase Compound ID 4UFoR22galn
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey PMWTYEQRXYIMND-XNZKQLDXSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxcKFdCwmsm
Name 5-ALPHA-CHOLESTANE-3-BETA-6-ALPHA-DIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-/m1/s1
InChIKey PMWTYEQRXYIMND-XNZKQLDXSA-N
Literature Reference Author J.P.STARCK,A.MILON,Y.NAKATANI,G.OURISSON
Literature Reference Citation BULL.SOC.CHIM.FR.,131,210(1994)
Molecular Weight 404.677 g/mol
Solvent CDCl3
Source File Reference UWSK2455