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Oleanic acid, 3-O-(B-glucopyranosyl[1-2])-(A-arabinopyranosyl[1-3])-B-glucoronide
SpectraBase Compound ID D8BSPEnIqa8
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(65-39-32(54)30(52)29(51)24(19-48)61-39)34(33(55)35(64-40)37(56)57)63-38-31(53)28(50)23(49)20-60-38/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 ZQJUBKCZQLYDNH-QYSLMXEBSA-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 HeWNxcyedy7
Name Oleanic acid, 3-O-(B-glucopyranosyl[1-2])-(A-arabinopyranosyl[1-3])-B-glucoronide
CAS Registry Number 96158-10-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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(65-39-32(54)30(52)29(51)24(19-48)61-39)34(33(55)35(64-40)37(56)57)63-38-31(53)28(50)23(49)20-60-38/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 ZQJUBKCZQLYDNH-QYSLMXEBSA-N
Instrument Name Jeol PFT-100
Literature Reference R.L. Nie, T. Morita, Planta Medica 50, 322 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5