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6'-O-[(E)-SINAPOYL]-GARDOSIDE
SpectraBase Compound ID 9wAjssaTTUG
InChI InChI=1S/C27H32O14/c1-11-15(28)8-13-14(25(34)35)9-39-26(20(11)13)41-27-24(33)23(32)22(31)18(40-27)10-38-19(29)5-4-12-6-16(36-2)21(30)17(7-12)37-3/h4-7,9,13,15,18,20,22-24,26-28,30-33H,1,8,10H2,2-3H3,(H,34,35)/b5-4+/t13-,15+,18+,20-,22+,23-,24+,26+,27-/m1/s1
InChIKey QTVCLHJYLZANIP-LKOLPJIHSA-N
Mol Weight 580.5 g/mol
Molecular Formula C27H32O14
Exact Mass 580.179206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C54fNsvIv0Q
Name 6'-O-[(E)-SINAPOYL]-GARDOSIDE
Compound Number 71
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O14
InChI InChI=1S/C27H32O14/c1-11-15(28)8-13-14(25(34)35)9-39-26(20(11)13)41-27-24(33)23(32)22(31)18(40-27)10-38-19(29)5-4-12-6-16(36-2)21(30)17(7-12)37-3/h4-7,9,13,15,18,20,22-24,26-28,30-33H,1,8,10H2,2-3H3,(H,34,35)/b5-4+/t13-,15+,18+,20-,22+,23-,24+,26+,27-/m1/s1
InChIKey QTVCLHJYLZANIP-LKOLPJIHSA-N
Literature Reference Author B.DINDA,D.R.CHOWDHURY,B.C.MOHANTA
Literature Reference Citation CHEM.PHARM.BULL.,57,765(2009)
Literature Reference DOI 10.1248/cpb.57.765
Molecular Weight 580.543 g/mol
Sample ID 2670
Solvent CD3OD