| SpectraBase Compound ID | 8ioZw0SU84J |
|---|---|
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-31(28(45)27(44)30(53-34)32(47)48)54-33-29(46)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21?,22-,23?,24?,25?,26+,27?,28?,29+,30?,31?,33+,34?,38?,39?,40?,41?/m0/s1 |
| InChIKey | CCNVMXYTOOTNCQ-URFKUHQDSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C41H64O13 |
| Exact Mass | 764.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JX2r1ShFKfY |
|---|---|
| Name | Oleanolic acid, B-xylopyranosyl(1-2)-3-glucoronide |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C41H64O13 |
| InChI | InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-31(28(45)27(44)30(53-34)32(47)48)54-33-29(46)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21?,22-,23?,24?,25?,26+,27?,28?,29+,30?,31?,33+,34?,38?,39?,40?,41?/m0/s1 |
| InChIKey | CCNVMXYTOOTNCQ-URFKUHQDSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 2323 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |