John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GBoE5AbuGvJ SpectraBase Spectrum ID=27ywYqg6SnM

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3-O-BETA-[GALACTOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
SpectraBase Compound ID GBoE5AbuGvJ
InChI InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22?,23-,24-,25?,26?,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,38+,39+,40-,44+,45-,46-,47+/m1/s1
InChIKey DPXMETKXNWBGRI-WEURPZEOSA-N
Mol Weight 927.1 g/mol
Molecular Formula C47H74O18
Exact Mass 926.487516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 27ywYqg6SnM
Name 3-O-BETA-[GALACTOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->2)]-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H74O18
InChI InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-36(65-38-31(53)28(50)23(49)20-60-38)34(33(55)35(64-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22?,23-,24-,25?,26?,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,38+,39+,40-,44+,45-,46-,47+/m1/s1
InChIKey DPXMETKXNWBGRI-WEURPZEOSA-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 927.094 g/mol
Solvent C5D5N
Source File Reference UWVN1163
SpectraBase Batch ID JaE3mYRP7U2