John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4wWB2FbM7fC SpectraBase Spectrum ID=BxyDrFYHlFH

(accessed ).
#2;DODEGRANOSIDE-B;(2-ALPHA,2'''-ALPHA,3-ALPHA,3'''-ALPHA)-3,3'''-BIS-(6,7-DIHYDROXYPHENYL)-2,2'''-CYCLOBUTANE-DICARBOXYLIC-ACID-DIPYROCATECHOL-O-BETA-D-GLUCOPYRAN
SpectraBase Compound ID 4wWB2FbM7fC
InChI InChI=1S/C42H44O20/c43-19-11-9-17(13-23(19)47)29-31(39(55)57-15-27-33(49)35(51)37(53)41(61-27)59-25-7-3-1-5-21(25)45)30(18-10-12-20(44)24(48)14-18)32(29)40(56)58-16-28-34(50)36(52)38(54)42(62-28)60-26-8-4-2-6-22(26)46/h1-14,27-38,41-54H,15-16H2/t27-,28+,29?,30?,31?,32?,33-,34+,35+,36-,37-,38+,41-,42+
InChIKey UUXMGHQZLZZHLF-GOXUJPLISA-N
Mol Weight 868.8 g/mol
Molecular Formula C42H44O20
Exact Mass 868.242594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BxyDrFYHlFH
Name #2;DODEGRANOSIDE-B;(2-ALPHA,2'''-ALPHA,3-ALPHA,3'''-ALPHA)-3,3'''-BIS-(6,7-DIHYDROXYPHENYL)-2,2'''-CYCLOBUTANE-DICARBOXYLIC-ACID-DIPYROCATECHOL-O-BETA-D-GLUCOPYRAN
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H44O20
InChI InChI=1S/C42H44O20/c43-19-11-9-17(13-23(19)47)29-31(39(55)57-15-27-33(49)35(51)37(53)41(61-27)59-25-7-3-1-5-21(25)45)30(18-10-12-20(44)24(48)14-18)32(29)40(56)58-16-28-34(50)36(52)38(54)42(62-28)60-26-8-4-2-6-22(26)46/h1-14,27-38,41-54H,15-16H2/t27-,28+,29?,30?,31?,32?,33-,34+,35+,36-,37-,38+,41-,42+
InChIKey UUXMGHQZLZZHLF-GOXUJPLISA-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 868.799 g/mol
Sample ID 45649
Solvent CD3OD
SpectraBase Batch ID 5sRSf7jiRUA