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3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER
SpectraBase Compound ID DWx1Vk26xs0
InChI InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-35(56)33(54)31(52)26(20-49)61-40)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-38-36(57)37(24(50)21-59-38)63-39-34(55)32(53)30(51)25(19-48)60-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29?,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47-/m0/s1
InChIKey LCMURMAVBYASPU-TUTGXRAHSA-N
Mol Weight 913.1 g/mol
Molecular Formula C47H76O17
Exact Mass 912.508251 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGOVMpJ2Jjc
Name 3-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H76O17
InChI InChI=1S/C47H76O17/c1-42(2)14-16-47(41(58)64-40-35(56)33(54)31(52)26(20-49)61-40)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)62-38-36(57)37(24(50)21-59-38)63-39-34(55)32(53)30(51)25(19-48)60-39/h8,23-40,48-57H,9-21H2,1-7H3/t23-,24-,25+,26+,27-,28+,29?,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,44-,45+,46+,47-/m0/s1
InChIKey LCMURMAVBYASPU-TUTGXRAHSA-N
Literature Reference Author K.H.SHAKER,M.BERNHARDT,M.H.A.ELGAMAL,K.EIFERT
Literature Reference Citation PHYTOCHEM.,51,1049(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00750-X
Molecular Weight 913.110 g/mol
Solvent CD3OD
Source File Reference UWVN11016