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3,6-CHOLESTAN-DIONE-2,2,4,4,5,7,7-D7

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3,6-CHOLESTAN-DIONE-2,2,4,4,5,7,7-D7
SpectraBase Compound ID BA0QyYw84wO
InChI InChI=1S/C27H44O2/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/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24?,26-,27-/m1/s1/i11D2,15D2,16D2,24D
InChIKey LNGLEOIUQBVRRY-JEIIRUADSA-N
Mol Weight 407.7 g/mol
Molecular Formula C27H372H7O2
Exact Mass 407.378068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oRBee3P6B8
Name 3,6-CHOLESTAN-DIONE-2,2,4,4,5,7,7-D7
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H372H7O2
InChI InChI=1S/C27H44O2/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/h17-18,20-24H,6-16H2,1-5H3/t18-,20+,21-,22+,23+,24?,26-,27-/m1/s1/i11D2,15D2,16D2,24D
InChIKey LNGLEOIUQBVRRY-JEIIRUADSA-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 407.688 g/mol
Solvent CDCl3
Source File Reference UWIR12032