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1-METHYL-3-METHOXY-2,5,6-TRI-O-(3',4',5'-TRIMETHOXY-GALLOYL)-ALPHA-D-HAMAMELOFURANOSIDE
SpectraBase Compound ID 1GHkIwbeUrB
InChI InChI=1S/C38H46O18/c1-42-23-12-20(13-24(43-2)30(23)48-7)34(39)53-18-29-33(51-10)38(37(52-11)55-29,56-36(41)22-16-27(46-5)32(50-9)28(17-22)47-6)19-54-35(40)21-14-25(44-3)31(49-8)26(15-21)45-4/h12-17,29,33,37H,18-19H2,1-11H3/t29-,33-,37+,38-/m1/s1
InChIKey MXOPLCHAGBEBFZ-ZSQYIXONSA-N
Mol Weight 790.8 g/mol
Molecular Formula C38H46O18
Exact Mass 790.268415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7PHQKMItaRI
Name 1-METHYL-3-METHOXY-2,5,6-TRI-O-(3',4',5'-TRIMETHOXY-GALLOYL)-ALPHA-D-HAMAMELOFURANOSIDE
Compound Number III
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46O18
InChI InChI=1S/C38H46O18/c1-42-23-12-20(13-24(43-2)30(23)48-7)34(39)53-18-29-33(51-10)38(37(52-11)55-29,56-36(41)22-16-27(46-5)32(50-9)28(17-22)47-6)19-54-35(40)21-14-25(44-3)31(49-8)26(15-21)45-4/h12-17,29,33,37H,18-19H2,1-11H3/t29-,33-,37+,38-/m1/s1
InChIKey MXOPLCHAGBEBFZ-ZSQYIXONSA-N
Literature Reference Author T.OZAWA,S.KOBAYASHI,R.SEKI,H.IMAGAWA
Literature Reference Citation AGR.BIOL.CHEM.,48,1411(1984)
Literature Reference DOI 10.1271/bbb1961.48.1411
Molecular Weight 790.772 g/mol
Solvent CDCl3
Source File Reference UWIR8528