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(-)-7,4'-DI-O-GALLOYLTRICETILFLAVAN
SpectraBase Compound ID HU3moQ4VJPT
InChI InChI=1S/C29H22O14/c30-16-9-14(41-28(39)12-5-17(31)25(37)18(32)6-12)10-24-15(16)1-2-23(42-24)11-3-21(35)27(22(36)4-11)43-29(40)13-7-19(33)26(38)20(34)8-13/h3-10,23,30-38H,1-2H2/t23-/m0/s1
InChIKey LRBYDVJXPROTLX-QHCPKHFHSA-N
Mol Weight 594.48 g/mol
Molecular Formula C29H22O14
Exact Mass 594.100955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gjji1SKSxaZ
Name (-)-7,4'-DI-O-GALLOYLTRICETILFLAVAN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22O14
InChI InChI=1S/C29H22O14/c30-16-9-14(41-28(39)12-5-17(31)25(37)18(32)6-12)10-24-15(16)1-2-23(42-24)11-3-21(35)27(22(36)4-11)43-29(40)13-7-19(33)26(38)20(34)8-13/h3-10,23,30-38H,1-2H2/t23-/m0/s1
InChIKey LRBYDVJXPROTLX-QHCPKHFHSA-N
Literature Reference Author J.KANG,C.LIU,H.WANG,B.LI,C.LI,R.CHEN,A.LIU
Literature Reference Citation MOLECULES,19,4479(2014)
Literature Reference DOI 10.3390/molecules19044479
Molecular Weight 594.485 g/mol
Solvent DMSO-D6
Source File Reference UWBT14533