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#2;PINOPHILIN-C;(E)-3-((7S,8S,8AS)-7-((2,4-DIHYDROXY-6-METHYLBENZOYL)-OXY)-8-HYDROXYL-7-METHYL-6-OXO-6,7,8,8A-TETRAHYDRO-1H-ISOCHROMEN-3-YL)-ACRYLIC-ACID

View entire compound with spectra: 1 NMR

#2;PINOPHILIN-C;(E)-3-((7S,8S,8AS)-7-((2,4-DIHYDROXY-6-METHYLBENZOYL)-OXY)-8-HYDROXYL-7-METHYL-6-OXO-6,7,8,8A-TETRAHYDRO-1H-ISOCHROMEN-3-YL)-ACRYLIC-ACID
SpectraBase Compound ID 2RwfPPKRDYb
InChI InChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-8,14,19,22-23,27H,9H2,1-2H3,(H,25,26)/b4-3+/t14-,19+,21-/m1/s1
InChIKey ZOGGKCYSUTXTIC-VTPDZOMWSA-N
Mol Weight 416.38 g/mol
Molecular Formula C21H20O9
Exact Mass 416.110732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlkKAzcMydc
Name #2;PINOPHILIN-C;(E)-3-((7S,8S,8AS)-7-((2,4-DIHYDROXY-6-METHYLBENZOYL)-OXY)-8-HYDROXYL-7-METHYL-6-OXO-6,7,8,8A-TETRAHYDRO-1H-ISOCHROMEN-3-YL)-ACRYLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O9
InChI InChI=1S/C21H20O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-8,14,19,22-23,27H,9H2,1-2H3,(H,25,26)/b4-3+/t14-,19+,21-/m1/s1
InChIKey ZOGGKCYSUTXTIC-VTPDZOMWSA-N
Literature Reference Author P.Y.WEI,L.X.LIU,T.LIU,C.CHEN,D.Q.LUO,B.Z.SHI
Literature Reference Citation MOLECULES,20,5825(2015)
Literature Reference DOI 10.3390/molecules20045825
Molecular Weight 416.384 g/mol
Solvent CD3OD
Source File Reference UWPA3071