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1,4-DIHYDROXY-2-METHYLBUT-2-ENE-1-O-BETA-D-GLUCOPYRANOSIDE-PENTAACETATE
SpectraBase Compound ID CblcmntcbnC
InChI InChI=1S/C21H30O12/c1-11(7-8-27-12(2)22)9-29-21-20(32-16(6)26)19(31-15(5)25)18(30-14(4)24)17(33-21)10-28-13(3)23/h7,17-21H,8-10H2,1-6H3/b11-7+/t17-,18-,19+,20-,21-/m1/s1
InChIKey NBXKBLDYPMYQLD-AEBVJLKESA-N
Mol Weight 474.46 g/mol
Molecular Formula C21H30O12
Exact Mass 474.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39dy4t7T0lE
Name 1,4-DIHYDROXY-2-METHYLBUT-2-ENE-1-O-BETA-D-GLUCOPYRANOSIDE-PENTAACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O12
InChI InChI=1S/C21H30O12/c1-11(7-8-27-12(2)22)9-29-21-20(32-16(6)26)19(31-15(5)25)18(30-14(4)24)17(33-21)10-28-13(3)23/h7,17-21H,8-10H2,1-6H3/b11-7+/t17-,18-,19+,20-,21-/m1/s1
InChIKey NBXKBLDYPMYQLD-AEBVJLKESA-N
Literature Reference Author M.NICOLETTI,L.TOMASSINNI,S.FODDAI
Literature Reference Citation PLANTA.MED.,58,472(1992)
Literature Reference DOI 10.1055/s-2006-961519
Molecular Weight 474.462 g/mol
Solvent CDCl3
Source File Reference UIAP376