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3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
SpectraBase Compound ID rzAbk6QzEb
InChI InChI=1S/C49H78O18/c1-22-29(51)31(53)33(55)40(62-22)67-38-32(54)30(52)25(21-50)63-42(38)65-36-34(56)37(39(58)61-9)66-41(35(36)57)64-28-13-14-46(6)26(45(28,4)5)12-15-48(8)27(46)11-10-23-24-20-44(2,3)16-18-49(24,43(59)60)19-17-47(23,48)7/h10,22,24-38,40-42,50-57H,11-21H2,1-9H3,(H,59,60)/t22-,24?,25?,26?,27?,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,40-,41+,42-,46-,47+,48+,49-/m0/s1
InChIKey YKOJYECYMRZITH-VWBLADKVSA-N
Mol Weight 955.1 g/mol
Molecular Formula C49H78O18
Exact Mass 954.518816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID TRsNow74j9
Name 3-O-BETA-[RHAMNOPYRANOSYL-(1->2)-GLUCOPYRANOSYL-(1->3)-(6-O-METHYL)-GLUCURONOPYRANOSYL]-OLEANOLIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H78O18
InChI InChI=1S/C49H78O18/c1-22-29(51)31(53)33(55)40(62-22)67-38-32(54)30(52)25(21-50)63-42(38)65-36-34(56)37(39(58)61-9)66-41(35(36)57)64-28-13-14-46(6)26(45(28,4)5)12-15-48(8)27(46)11-10-23-24-20-44(2,3)16-18-49(24,43(59)60)19-17-47(23,48)7/h10,22,24-38,40-42,50-57H,11-21H2,1-9H3,(H,59,60)/t22-,24?,25?,26?,27?,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,40-,41+,42-,46-,47+,48+,49-/m0/s1
InChIKey YKOJYECYMRZITH-VWBLADKVSA-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 955.148 g/mol
Solvent C5D5N
Source File Reference UWVN1189