![Oleanolic acid, 3-O-(B-xylopyranosyl[1-2])-(A-arabinopyranosyl[1-3])-B-glucoronide](/api/spectrum/HFBmKBxVLVV/structure.png?h=300&w=458 "Oleanolic acid, 3-O-(B-xylopyranosyl[1-2])-(A-arabinopyranosyl[1-3])-B-glucoronide")
| SpectraBase Compound ID | 7Q4D6HTNzGp |
|---|---|
| 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?/m0/s1 |
| InChIKey | XQGKHFSVPNPHAB-JONKTMRDSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C46H72O17 |
| Exact Mass | 896.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HFBmKBxVLVV |
|---|---|
| Name | Oleanolic acid, 3-O-(B-xylopyranosyl[1-2])-(A-arabinopyranosyl[1-3])-B-glucoronide |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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?/m0/s1 |
| InChIKey | XQGKHFSVPNPHAB-JONKTMRDSA-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 |