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2,4-dihydroxy-6-methyl-benzoic acid [(6R,7R)-6-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-8-keto-7-methyl-5,6-dihydro-1H-isochromen-7-yl] ester

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2,4-dihydroxy-6-methyl-benzoic acid [(6R,7R)-6-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-8-keto-7-methyl-5,6-dihydro-1H-isochromen-7-yl] ester
SpectraBase Compound ID 2y3ZQZIFZvD
InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-7,9,17,22-25H,5,8,10H2,1-2H3/b4-3+/t17-,21-/m1/s1
InChIKey ZRJGOGLZGFEQJT-RIEYKTBPSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZ8cetWLkmN
Name 2,4-dihydroxy-6-methyl-benzoic acid [(6R,7R)-6-hydroxy-3-[(E)-3-hydroxyprop-1-enyl]-8-keto-7-methyl-5,6-dihydro-1H-isochromen-7-yl] ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-7,9,17,22-25H,5,8,10H2,1-2H3/b4-3+/t17-,21-/m1/s1
InChIKey ZRJGOGLZGFEQJT-RIEYKTBPSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 402.401 g/mol
Source File Reference MHKO25327