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PURPURESTER_A;(S)-5,6-DIHYDROXY-3-METHOXYY8Y_ISOBENZOFURAN-1-(3-H)-ONE
SpectraBase Compound ID IvamWIs2Y0H
InChI InChI=1S/C13H16O5/c1-4-5-13(17-3)8-6-9(14)11(15)7(2)10(8)12(16)18-13/h6,14-15H,4-5H2,1-3H3/t13-/m0/s1
InChIKey CHYNVNQRYJSKBG-ZDUSSCGKSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uKn8aqSUJF
Name PURPURESTER_A;(S)-5,6-DIHYDROXY-3-METHOXYY8Y_ISOBENZOFURAN-1-(3-H)-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-4-5-13(17-3)8-6-9(14)11(15)7(2)10(8)12(16)18-13/h6,14-15H,4-5H2,1-3H3/t13-/m0/s1
InChIKey CHYNVNQRYJSKBG-ZDUSSCGKSA-N
Literature Reference Author H.WANG,MY.WANG,W.WANG,P.FU,P.LIU,W.ZHU
Literature Reference Citation J.NAT.PROD.,74,2014(2011)
Literature Reference DOI 10.1021/np2004769
Molecular Weight 252.267 g/mol
Sample ID 39292
Solvent DMSO-D6