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3-CHOLESTAN-ONE-2,2,4,4-D4

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3-CHOLESTAN-ONE-2,2,4,4-D4
SpectraBase Compound ID E8hgI7WMDsD
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i13D2,17D2
InChIKey PESKGJQREUXSRR-IQEVMWEISA-N
Mol Weight 390.7 g/mol
Molecular Formula C27H422H4O
Exact Mass 390.379973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GPi76NZmyRq
Name 3-CHOLESTAN-ONE-2,2,4,4-D4
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H422H4O
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20?,22+,23-,24+,25+,26+,27-/m1/s1/i13D2,17D2
InChIKey PESKGJQREUXSRR-IQEVMWEISA-N
Literature Reference Author M.G.D.MIRANDA,A.L.M.ALBERT,J.N.CARDOSO,R.S.C.LOPES,C.C.LOPES
Literature Reference Citation QUIM.NOVA,36,1160(2013)
Literature Reference DOI 10.1590/s0100-40422013000800014
Molecular Weight 390.686 g/mol
Solvent CDCl3
Source File Reference UWIR12033