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18-(BETA-D-GLUCOPYRANOSYLOXY)-28-OXO-OLEAN-12-EN-3-BETA-YL_3-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDURONIC_ACID_METHYLESTER

View entire compound with spectra: 1 NMR

18-(BETA-D-GLUCOPYRANOSYLOXY)-28-OXO-OLEAN-12-EN-3-BETA-YL_3-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDURONIC_ACID_METHYLESTER
SpectraBase Compound ID GMsMydSdfBi
InChI InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-34(57)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-36(59)37(35(58)38(67-42)39(60)62-8)66-40-33(56)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3
InChIKey FBNHNCMZFHURCE-UHFFFAOYSA-N
Mol Weight 971.1 g/mol
Molecular Formula C49H78O19
Exact Mass 970.51373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JA8xlAfb4qz
Name 18-(BETA-D-GLUCOPYRANOSYLOXY)-28-OXO-OLEAN-12-EN-3-BETA-YL_3-O-(BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDURONIC_ACID_METHYLESTER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H78O19
InChI InChI=1S/C49H78O19/c1-44(2)15-17-49(43(61)68-41-34(57)32(55)30(53)25(21-51)64-41)18-16-47(6)22(23(49)19-44)9-10-27-46(5)13-12-28(45(3,4)26(46)11-14-48(27,47)7)65-42-36(59)37(35(58)38(67-42)39(60)62-8)66-40-33(56)31(54)29(52)24(20-50)63-40/h9,23-38,40-42,50-59H,10-21H2,1-8H3
InChIKey FBNHNCMZFHURCE-UHFFFAOYSA-N
Literature Reference Author J.X.LI,T.HAREYAMA,Y.TEZUKA,Y.ZHANG,T.MIYAHARA,S.KADOTA
Literature Reference Citation PLANTA.MED.,71,673(2005)
Literature Reference DOI 10.1055/s-2005-871275
Molecular Weight 971.147 g/mol
Solvent C5D5N
Source File Reference UWMZ47011