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SYMPRACEMOSIDE;PESEUDOBATIGENIN-7-O-[BETA-D-APIOFURANOSYL-(1''''->5''')-BETA-D-APIOFURANOSYL-(1'''->6'')]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID JhAzxuoDNB5
InChI InChI=1S/C32H36O18/c33-9-31(40)10-44-30(26(31)38)46-12-32(41)11-45-29(27(32)39)43-8-21-23(35)24(36)25(37)28(50-21)49-15-2-3-16-19(6-15)42-7-17(22(16)34)14-1-4-18-20(5-14)48-13-47-18/h1-7,21,23-30,33,35-41H,8-13H2/t21-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
InChIKey HAIVXCMZLDZINO-MBAGSZCWSA-N
Mol Weight 708.6 g/mol
Molecular Formula C32H36O18
Exact Mass 708.190164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9QrSM3bzeI
Name SYMPRACEMOSIDE;PESEUDOBATIGENIN-7-O-[BETA-D-APIOFURANOSYL-(1''''->5''')-BETA-D-APIOFURANOSYL-(1'''->6'')]-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36O18
InChI InChI=1S/C32H36O18/c33-9-31(40)10-44-30(26(31)38)46-12-32(41)11-45-29(27(32)39)43-8-21-23(35)24(36)25(37)28(50-21)49-15-2-3-16-19(6-15)42-7-17(22(16)34)14-1-4-18-20(5-14)48-13-47-18/h1-7,21,23-30,33,35-41H,8-13H2/t21-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1
InChIKey HAIVXCMZLDZINO-MBAGSZCWSA-N
Literature Reference Author M.JUNG,J.CHOI,H.S.CHAE,J.Y.CHO,Y.D.KIM,K.M.HTWE,W.S.LEE,Y.W. CHIN,J.KIM,K.D.YOON
Literature Reference Citation MOLECULES,20,358(2015)
Literature Reference DOI 10.3390/molecules20010358
Molecular Weight 708.627 g/mol
Solvent CD3OD
Source File Reference UWPA2019