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E-SYNIOLIDE_A;MINOR_ISOMER
SpectraBase Compound ID LB20xKS39J1
InChI InChI=1S/C19H12Br4O7/c1-29-18(27)13(7-3-9(20)16(25)10(21)4-7)14(19(28)30-2)15(24)8-5-11(22)17(26)12(23)6-8/h3-6,25-26H,1-2H3/b14-13+
InChIKey WOJXBWZIOKWNOU-BUHFOSPRSA-N
Mol Weight 671.91 g/mol
Molecular Formula C19H12Br4O7
Exact Mass 667.731655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEhSioxzin2
Name E-SYNIOLIDE_A;MINOR_ISOMER
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H12Br4O7
InChI InChI=1S/C19H12Br4O7/c1-29-18(27)13(7-3-9(20)16(25)10(21)4-7)14(19(28)30-2)15(24)8-5-11(22)17(26)12(23)6-8/h3-6,25-26H,1-2H3/b14-13+
InChIKey WOJXBWZIOKWNOU-BUHFOSPRSA-N
Literature Reference Author T.H.WON,J.JEON,S.H.KIM,S.H.LEE,B.J.RHO,D.C.OH,K.B.OH,J.SHIN
Literature Reference Citation J.NAT.PROD.,75,2055(2012)
Literature Reference DOI 10.1021/np3005562
Molecular Weight 671.916 g/mol
Sample ID 41670
Solvent DMSO-D6