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DIECKOL
SpectraBase Compound ID 66bHTtIct25
InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
InChIKey DRZQFGYIIYNNEC-UHFFFAOYSA-N
Mol Weight 742.6 g/mol
Molecular Formula C36H22O18
Exact Mass 742.080614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCbiMMKm1Cw
Name DIECKOL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H22O18
InChI InChI=1S/C36H22O18/c37-12-1-13(38)3-15(2-12)49-31-22(44)10-25(47)34-35(31)54-30-21(43)8-17(9-27(30)52-34)48-28-19(41)6-16(7-20(28)42)50-32-23(45)11-24(46)33-36(32)53-29-18(40)4-14(39)5-26(29)51-33/h1-11,37-47H
InChIKey DRZQFGYIIYNNEC-UHFFFAOYSA-N
Literature Reference Author A.R.KIM,T.S.SHIN,M.S.LEE,J.Y.PARK,K.E.PARK,N.Y.YOON,J.S.KIM, J.S.CHOI,B.C.AJNG,D.
Literature Reference Citation J.AGR.FOOD.CHEM.,57,3483(2009)
Literature Reference DOI 10.1021/jf900820x
Molecular Weight 742.560 g/mol
Sample ID 67980
Solvent CD3OD