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SYMPLOCOMOSIDE;2-[(3-PYROCATECHUOXY)-METHYL]-4-HYDROXYPHENYL-BETA-D-GLUCOPYRANOSIDE_6-BENZOATE
SpectraBase Compound ID 8nzQWce8kvv
InChI InChI=1S/C27H26O12/c28-16-9-10-18(15(11-16)12-36-19-8-4-7-17(21(19)29)25(33)34)38-27-24(32)23(31)22(30)20(39-27)13-37-26(35)14-5-2-1-3-6-14/h1-11,20,22-24,27-32H,12-13H2,(H,33,34)
InChIKey YRACBMDJPWWWRJ-UHFFFAOYSA-N
Mol Weight 542.49 g/mol
Molecular Formula C27H26O12
Exact Mass 542.142426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DjYcCS3sUT3
Name SYMPLOCOMOSIDE;2-[(3-PYROCATECHUOXY)-METHYL]-4-HYDROXYPHENYL-BETA-D-GLUCOPYRANOSIDE_6-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O12
InChI InChI=1S/C27H26O12/c28-16-9-10-18(15(11-16)12-36-19-8-4-7-17(21(19)29)25(33)34)38-27-24(32)23(31)22(30)20(39-27)13-37-26(35)14-5-2-1-3-6-14/h1-11,20,22-24,27-32H,12-13H2,(H,33,34)
InChIKey YRACBMDJPWWWRJ-UHFFFAOYSA-N
Literature Reference Author M.A.ABBASI,V.U.AHMAD,M.ZUBAIR,N.FATIMA,U.FAROOQ,S.HUSSAIN,M. A.LODHI,M.I.CHOUDHAR
Literature Reference Citation PLANTA.MED.,70,1189(2004)
Literature Reference DOI 10.1055/s-2004-835850
Molecular Weight 542.496 g/mol
Solvent CD3OD
Source File Reference UWMZ48554