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MONACANTHIN-B;1,2,3-TRI-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE

View entire compound with spectra: 1 NMR

MONACANTHIN-B;1,2,3-TRI-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE
SpectraBase Compound ID Jk3DNWOB2OJ
InChI InChI=1S/C34H28O21/c35-15-2-1-11(3-16(15)36)30(47)51-10-23-27(46)28(53-31(48)12-4-17(37)24(43)18(38)5-12)29(54-32(49)13-6-19(39)25(44)20(40)7-13)34(52-23)55-33(50)14-8-21(41)26(45)22(42)9-14/h1-9,23,27-29,34-46H,10H2/t23-,27-,28+,29-,34+/m0/s1
InChIKey DFTLIWJLVLLBPY-VLXYVBEXSA-N
Mol Weight 772.6 g/mol
Molecular Formula C34H28O21
Exact Mass 772.112308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCJbjqInB69
Name MONACANTHIN-B;1,2,3-TRI-O-GALLOYL-6-O-PROTOCATECHUOYL-BETA-D-GLUCOSE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H28O21
InChI InChI=1S/C34H28O21/c35-15-2-1-11(3-16(15)36)30(47)51-10-23-27(46)28(53-31(48)12-4-17(37)24(43)18(38)5-12)29(54-32(49)13-6-19(39)25(44)20(40)7-13)34(52-23)55-33(50)14-8-21(41)26(45)22(42)9-14/h1-9,23,27-29,34-46H,10H2/t23-,27-,28+,29-,34+/m0/s1
InChIKey DFTLIWJLVLLBPY-VLXYVBEXSA-N
Literature Reference Author F.E.KANDIL,M.H.GRACE
Literature Reference Citation PHYTOCHEM.,58,611(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00265-5
Molecular Weight 772.584 g/mol
Solvent ACETONE-D6
Source File Reference UWLU2941