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3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
SpectraBase Compound ID FKT9EAnuTXG
InChI InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)/t22?,23-,24-,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,37+,38+,39-,43+,44-,45-,46+/m1/s1
InChIKey XQGKHFSVPNPHAB-RFOWECJFSA-N
Mol Weight 897.1 g/mol
Molecular Formula C46H72O17
Exact Mass 896.476951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CrmwmJMhGc
Name 3-O-BETA-[XYLOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H72O17
InChI InChI=1S/C46H72O17/c1-41(2)14-16-46(40(56)57)17-15-44(6)21(22(46)18-41)8-9-26-43(5)12-11-27(42(3,4)25(43)10-13-45(26,44)7)60-39-35(63-38-31(52)29(50)24(48)20-59-38)33(32(53)34(62-39)36(54)55)61-37-30(51)28(49)23(47)19-58-37/h8,22-35,37-39,47-53H,9-20H2,1-7H3,(H,54,55)(H,56,57)/t22?,23-,24-,25?,26?,27+,28+,29+,30-,31-,32+,33+,34+,35-,37+,38+,39-,43+,44-,45-,46+/m1/s1
InChIKey XQGKHFSVPNPHAB-RFOWECJFSA-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 897.067 g/mol
Solvent C5D5N
Source File Reference UWVN1181