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#8;PERISACCHARIDE-C;2-O-ACETYL-BETA-DIGITALOPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-DIGITOXOPYRANOSYL-(1->4)-O-OLEA
SpectraBase Compound ID 8CN0Fpqgb0o
InChI InChI=1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-28(14-24(33)43-9)53-32-18(4)47-27(13-23(32)42-8)51-30-16(2)46-26(11-21(30)38)52-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17+,18+,19-,21+,22+,23-,24+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36+/m1/s1
InChIKey QMGCPFHDOFHSKK-NMZYFTEJSA-N
Mol Weight 780.9 g/mol
Molecular Formula C36H60O18
Exact Mass 780.377965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FGT0efgw5IB
Name #8;PERISACCHARIDE-C;2-O-ACETYL-BETA-DIGITALOPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-CYMAROPYRANOSYL-(1->4)-O-BETA-DIGITOXOPYRANOSYL-(1->4)-O-OLEA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H60O18
InChI InChI=1S/C36H60O18/c1-15-29(40)34(44-10)35(50-20(6)37)36(49-15)54-33-19(5)48-28(14-24(33)43-9)53-32-18(4)47-27(13-23(32)42-8)51-30-16(2)46-26(11-21(30)38)52-31-17(3)45-25(39)12-22(31)41-7/h15-19,21-24,26-36,38,40H,11-14H2,1-10H3/t15-,16-,17+,18+,19-,21+,22+,23-,24+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36+/m1/s1
InChIKey QMGCPFHDOFHSKK-NMZYFTEJSA-N
Literature Reference Author J.FENG,R.ZHANG,Y.ZHOU,Z.CHEN,W.TANG,Q.LIU,J.P.ZUO,W.ZHAO
Literature Reference Citation PHYTOCHEM.,69,2716(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.08.015
Molecular Weight 780.862 g/mol
Sample ID 63146
Solvent CDCl3