John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=844M0q8tPtg SpectraBase Spectrum ID=2vCeZNjkb48

(accessed ).
AGINOSIDE
SpectraBase Compound ID 844M0q8tPtg
InChI InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20-,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49-,50-/m1/s1
InChIKey REIZDYUGEPBIJP-WOULMKFLSA-N
Mol Weight 1067.2 g/mol
Molecular Formula C50H82O24
Exact Mass 1066.519604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vCeZNjkb48
Name AGINOSIDE;AGIGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H82O24
InChI InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20-,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49-,50-/m1/s1
InChIKey REIZDYUGEPBIJP-WOULMKFLSA-N
Literature Reference Author K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,30,3063(1991)
Literature Reference DOI 10.1016/S0031-9422(00)98253-0
Molecular Weight 1067.187 g/mol
Solvent C5D5N
Source File Reference UWVN31006
SpectraBase Batch ID J8xyisul5LO