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1-L-1-O-METHYL-2-ACETYL-3-PARA-COUMARYL-MYO-INOSITOL
SpectraBase Compound ID G0Ni1GwsP4s
InChI InChI=1S/C18H22O9/c1-9(19)26-18-16(25-2)14(23)13(22)15(24)17(18)27-12(21)8-5-10-3-6-11(20)7-4-10/h3-8,13-18,20,22-24H,1-2H3/b8-5+/t13-,14-,15+,16+,17-,18+/m1/s1
InChIKey AJZKDFNTXHJZSL-CIABJYHVSA-N
Mol Weight 382.37 g/mol
Molecular Formula C18H22O9
Exact Mass 382.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2x4W59KuV33
Name 1-L-1-O-METHYL-2-ACETYL-3-PARA-COUMARYL-MYO-INOSITOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O9
InChI InChI=1S/C18H22O9/c1-9(19)26-18-16(25-2)14(23)13(22)15(24)17(18)27-12(21)8-5-10-3-6-11(20)7-4-10/h3-8,13-18,20,22-24H,1-2H3/b8-5+/t13-,14-,15+,16+,17-,18+/m1/s1
InChIKey AJZKDFNTXHJZSL-CIABJYHVSA-N
Literature Reference Author R.MATA,J.L.CONTRERAS,D.CRISANTO,R.PEREDA-MIRANDA,P.CASTANEDA ,F.DELRIO
Literature Reference Citation J.NAT.PROD.,54,913(1991)
Literature Reference DOI 10.1021/np50075a033
Molecular Weight 382.367 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWCS5425