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(-)-(2-R,3-S)-1-{4-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLOXY]-BENZYL}-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2
SpectraBase Compound ID K18UciNgrQx
InChI InChI=1S/C46H66O28/c1-18(2)11-46(74-44-36(60)33(57)29(53)25(14-49)72-44,39(62)40(63)65-16-19-3-7-21(8-4-19)67-41-34(58)31(55)27(51)23(12-47)69-41)45(64)66-17-20-5-9-22(10-6-20)68-43-37(61)38(30(54)26(15-50)71-43)73-42-35(59)32(56)28(52)24(13-48)70-42/h3-10,18,23-39,41-44,47-62H,11-17H2,1-2H3/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39-,41-,42-,43+,44+,46+/m0/s1
InChIKey HLAUPYGCZKHKHA-BBXBOSKUSA-N
Mol Weight 1067.0 g/mol
Molecular Formula C46H66O28
Exact Mass 1066.374061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3c62bfmK0fG
Name (-)-(2-R,3-S)-1-{4-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYLOXY]-BENZYL}-2-O-BETA-D-GLUCOPYRANOSYL-4-(4-BETA-D-GLUCOPYRANOSYLOXYBENZYL)-2
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H66O28
InChI InChI=1S/C46H66O28/c1-18(2)11-46(74-44-36(60)33(57)29(53)25(14-49)72-44,39(62)40(63)65-16-19-3-7-21(8-4-19)67-41-34(58)31(55)27(51)23(12-47)69-41)45(64)66-17-20-5-9-22(10-6-20)68-43-37(61)38(30(54)26(15-50)71-43)73-42-35(59)32(56)28(52)24(13-48)70-42/h3-10,18,23-39,41-44,47-62H,11-17H2,1-2H3/t23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33+,34-,35+,36-,37+,38-,39-,41-,42-,43+,44+,46+/m0/s1
InChIKey HLAUPYGCZKHKHA-BBXBOSKUSA-N
Literature Reference Author J.ZI,S.LI,M.LIU,M.GAN,S.LIN,W.SONG,Y.ZHANG,X.FAN,Y.YANG,J.ZH ANG,J.SHI,D.DI
Literature Reference Citation J.NAT.PROD.,71,799(2008)
Literature Reference DOI 10.1021/np070670j
Molecular Weight 1067.013 g/mol
Sample ID 28247
Solvent DMSO-D6:D2O