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1-O,2-O-DIGALLOYL-6-O-(TRANS)-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 1Pcy54zdEgX
InChI InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20-,24-,25+,26-,29+/m1/s1
InChIKey QDSDUIWGMCGLHI-VTULTLKESA-N
Mol Weight 630.51 g/mol
Molecular Formula C29H26O16
Exact Mass 630.122085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXLbLSx1Tbi
Name 1-O,2-O-DIGALLOYL-6-O-(TRANS)-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O16
InChI InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20-,24-,25+,26-,29+/m1/s1
InChIKey QDSDUIWGMCGLHI-VTULTLKESA-N
Literature Reference Author M.O.FREITAS,M.A.S.LIMA,E.R.SILVEIRA
Literature Reference Citation QUIM.NOVA,30,1926(2007)
Literature Reference DOI 10.1590/s0100-40422007000800025
Molecular Weight 630.516 g/mol
Solvent Unknown
Source File Reference UWBT12151