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6'-O-CIS-CINNAMOYL-8-EPI-KINGSIDIC-ACID
SpectraBase Compound ID 5kmtuep4TQz
InChI InChI=1S/C25H28O12/c1-12-19-14(9-18(27)35-12)15(23(31)32)10-34-24(19)37-25-22(30)21(29)20(28)16(36-25)11-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,10,12,14,16,19-22,24-25,28-30H,9,11H2,1H3,(H,31,32)/b8-7-/t12-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey XPUDIJARFNUSHK-QGSNEDHLSA-N
Mol Weight 520.49 g/mol
Molecular Formula C25H28O12
Exact Mass 520.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4boVfojRtrZ
Name 6'-O-CIS-CINNAMOYL-8-EPI-KINGSIDIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O12
InChI InChI=1S/C25H28O12/c1-12-19-14(9-18(27)35-12)15(23(31)32)10-34-24(19)37-25-22(30)21(29)20(28)16(36-25)11-33-17(26)8-7-13-5-3-2-4-6-13/h2-8,10,12,14,16,19-22,24-25,28-30H,9,11H2,1H3,(H,31,32)/b8-7-/t12-,14-,16-,19-,20-,21+,22-,24+,25+/m1/s1
InChIKey XPUDIJARFNUSHK-QGSNEDHLSA-N
Literature Reference Author S.AOKI,Y.HONDA,T.KIKUCHI,T.MIURA,R.SUGAWARA,Y.YAOITA,M.KIKUC HI,K.MACHIDA
Literature Reference Citation CHEM.PHARM.BULL.,60,251(2012)
Literature Reference DOI 10.1248/cpb.60.251
Molecular Weight 520.490 g/mol
Source File Reference UWBT4283