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3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 1F5qmLOiLYo
InChI InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)32(55)36(37(66-41)38(59)60)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22?,23-,24+,25?,26?,27-,28-,29+,30+,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,45-,46+,47+,48-/m0/s1
InChIKey VQIUANBMNYRFDG-DJTZEIBBSA-N
Mol Weight 957.1 g/mol
Molecular Formula C48H76O19
Exact Mass 956.49808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GVXppaegKU
Name 3-O-BETA-[GLUCOPYRANOSYL-(1->4)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID-28-O-GLUCOPYRANOSYLESTER
Compound Number 153
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O19
InChI InChI=1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-34(57)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)32(55)36(37(66-41)38(59)60)65-39-33(56)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22?,23-,24+,25?,26?,27-,28-,29+,30+,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,45-,46+,47+,48-/m0/s1
InChIKey VQIUANBMNYRFDG-DJTZEIBBSA-N
Literature Reference Author N.TAN,J.ZHOU,S.ZHAO
Literature Reference Citation PHYTOCHEM.,52,153(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00454-3
Molecular Weight 957.120 g/mol
Solvent C5D5N
Source File Reference UWVN1270