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SYMCOMOSIDE-A;[1-[(3,4,5-TRIHYDROXYBENZOYLOXY)-METHYL]-3,5-DIMETHOXYPHENYL-4-OXY-4-O-BETA-D-GLUCOPYRANOSIDE]
SpectraBase Compound ID I3MXCiS39SE
InChI InChI=1S/C22H26O13/c1-31-13-3-9(8-33-21(30)10-5-11(24)16(26)12(25)6-10)4-14(32-2)20(13)35-22-19(29)18(28)17(27)15(7-23)34-22/h3-6,15,17-19,22-29H,7-8H2,1-2H3/t15-,17-,18+,19-,22+/m0/s1
InChIKey QCXNIZCSWOCSFA-LJDWRWTJSA-N
Mol Weight 498.44 g/mol
Molecular Formula C22H26O13
Exact Mass 498.137341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYu1rBL6I9Y
Name SYMCOMOSIDE-A;[1-[(3,4,5-TRIHYDROXYBENZOYLOXY)-METHYL]-3,5-DIMETHOXYPHENYL-4-OXY-4-O-BETA-D-GLUCOPYRANOSIDE]
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O13
InChI InChI=1S/C22H26O13/c1-31-13-3-9(8-33-21(30)10-5-11(24)16(26)12(25)6-10)4-14(32-2)20(13)35-22-19(29)18(28)17(27)15(7-23)34-22/h3-6,15,17-19,22-29H,7-8H2,1-2H3/t15-,17-,18+,19-,22+/m0/s1
InChIKey QCXNIZCSWOCSFA-LJDWRWTJSA-N
Literature Reference Author V.U.AHMAD,M.ZUBAIR,M.A.ABBASI,M.A.RASHID,N.RASOOL,S.N.KHAN,M .I.CHOUDHARY,F.KOUS
Literature Reference Citation MAGN.RES.CHEM.,43,486(2005)
Literature Reference DOI 10.1002/mrc.1571
Molecular Weight 498.441 g/mol
Solvent CD3OD
Source File Reference UWLU36007