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DODEGRANOSIDE-C;8,2'-EPOXY-7,4',5'-TRIHYDROXYNAPHTHALENE-2,3-DICARBOXYLIC-ACID-DIPYROCATECHOL-O-BETA-D-GLUCOPYRANOSYLESTER

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DODEGRANOSIDE-C;8,2'-EPOXY-7,4',5'-TRIHYDROXYNAPHTHALENE-2,3-DICARBOXYLIC-ACID-DIPYROCATECHOL-O-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 1Wrd3SefKRu
InChI InChI=1S/C42H38O20/c43-19-5-1-3-7-24(19)59-41-36(52)34(50)32(48)27(61-41)14-56-39(54)18-11-16-9-10-21(45)38-29(16)30(17-12-22(46)23(47)13-26(17)58-38)31(18)40(55)57-15-28-33(49)35(51)37(53)42(62-28)60-25-8-4-2-6-20(25)44/h1-13,27-28,32-37,41-53H,14-15H2/t27-,28-,32-,33-,34+,35+,36-,37-,41-,42-/m1/s1
InChIKey UHONABRYBHVKPB-HMTUHSMRSA-N
Mol Weight 862.7 g/mol
Molecular Formula C42H38O20
Exact Mass 862.195644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1f0q0qpsUOs
Name DODEGRANOSIDE-C;8,2'-EPOXY-7,4',5'-TRIHYDROXYNAPHTHALENE-2,3-DICARBOXYLIC-ACID-DIPYROCATECHOL-O-BETA-D-GLUCOPYRANOSYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38O20
InChI InChI=1S/C42H38O20/c43-19-5-1-3-7-24(19)59-41-36(52)34(50)32(48)27(61-41)14-56-39(54)18-11-16-9-10-21(45)38-29(16)30(17-12-22(46)23(47)13-26(17)58-38)31(18)40(55)57-15-28-33(49)35(51)37(53)42(62-28)60-25-8-4-2-6-20(25)44/h1-13,27-28,32-37,41-53H,14-15H2/t27-,28-,32-,33-,34+,35+,36-,37-,41-,42-/m1/s1
InChIKey UHONABRYBHVKPB-HMTUHSMRSA-N
Literature Reference Author M.KUMAR,P.RAWAT,N.RAHUJA,A.K.SRIVASTAVA,R.MAURYA
Literature Reference Citation PHYTOCHEM.,70,1448(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.07.029
Molecular Weight 862.752 g/mol
Sample ID 45650
Solvent CD3OD