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PRUNASIN-3',6'-DI-O-GALLATE
SpectraBase Compound ID FVX2MibGRIR
InChI InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20-,23-,24-,25+,28-/m1/s1
InChIKey YBXFOTINCCIAPR-DHENZXBISA-N
Mol Weight 599.5 g/mol
Molecular Formula C28H25NO14
Exact Mass 599.127504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqSAhyf7bvU
Name PRUNASIN-3',6'-DI-O-GALLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H25NO14
InChI InChI=1S/C28H25NO14/c29-10-19(12-4-2-1-3-5-12)41-28-24(37)25(43-27(39)14-8-17(32)22(35)18(33)9-14)23(36)20(42-28)11-40-26(38)13-6-15(30)21(34)16(31)7-13/h1-9,19-20,23-25,28,30-37H,11H2/t19-,20-,23-,24-,25+,28-/m1/s1
InChIKey YBXFOTINCCIAPR-DHENZXBISA-N
Literature Reference Author S.K.LING,T.TANAKA,I.KOUNO
Literature Reference Citation J.NAT.PROD.,65,131(2002)
Literature Reference DOI 10.1021/np010393v
Molecular Weight 599.505 g/mol
Solvent ACETONE-D6
Source File Reference UWSI2731