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ILEXOSIDE-XXXI;3-O-BETA-[GLUCURONOPYRANOSYL]-SIARESINOLIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID FR06IHyNesA
InChI InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,39+,40-,41-,42+/m1/s1
InChIKey FFVRDWTUNZABAZ-CAXVEEADSA-N
Mol Weight 811.0 g/mol
Molecular Formula C42H66O15
Exact Mass 810.440171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vHpjw9MO1j
Name ILEXOSIDE-XXXI;3-O-BETA-[GLUCURONOPYRANOSYL]-SIARESINOLIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER
Compound Number 90
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H66O15
InChI InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,39+,40-,41-,42+/m1/s1
InChIKey FFVRDWTUNZABAZ-CAXVEEADSA-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 810.977 g/mol
Solvent C5D5N
Source File Reference UWVN1325