John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5odQcbTPRiI SpectraBase Spectrum ID=1jUPWO4gLqY

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ILEXOSIDE-LI;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-SIARESINOLIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID 5odQcbTPRiI
InChI InChI=1S/C48H76O20/c1-43(2)14-16-48(42(62)68-40-34(58)30(54)28(52)22(19-50)64-40)17-15-46(6)20(26(48)37(43)59)8-9-24-45(5)12-11-25(44(3,4)23(45)10-13-47(24,46)7)65-41-36(32(56)31(55)35(66-41)38(60)61)67-39-33(57)29(53)27(51)21(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t21-,22-,23?,24?,25+,26?,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1
InChIKey YWRJCOBEOLLKHX-UOMTVJSYSA-N
Mol Weight 973.1 g/mol
Molecular Formula C48H76O20
Exact Mass 972.492996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jUPWO4gLqY
Name ILEXOSIDE-LI;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-GLUCURONOPYRANOSYL]-SIARESINOLIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER
Compound Number 96
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H76O20
InChI InChI=1S/C48H76O20/c1-43(2)14-16-48(42(62)68-40-34(58)30(54)28(52)22(19-50)64-40)17-15-46(6)20(26(48)37(43)59)8-9-24-45(5)12-11-25(44(3,4)23(45)10-13-47(24,46)7)65-41-36(32(56)31(55)35(66-41)38(60)61)67-39-33(57)29(53)27(51)21(18-49)63-39/h8,21-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t21-,22-,23?,24?,25+,26?,27+,28-,29+,30+,31+,32+,33-,34-,35+,36-,37+,39+,40+,41-,45+,46-,47-,48+/m1/s1
InChIKey YWRJCOBEOLLKHX-UOMTVJSYSA-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 973.119 g/mol
Solvent C5D5N
Source File Reference UWVN1326
SpectraBase Batch ID 5fu5FaeSIeo