| SpectraBase Compound ID | 8VcFsz3Xmyh |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20?,21?,22?,23?,24-,25+,26-,27+,29+,33?,34?,35?,36?/m1/s1 |
| InChIKey | IUCHKMAZAWJNBJ-UPWYCXGZSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8MHWQxuyYVh |
|---|---|
| Name | Oleanolic acid, 3-O.beta.-glucoronide |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20?,21?,22?,23?,24-,25+,26-,27+,29+,33?,34?,35?,36?/m1/s1 |
| InChIKey | IUCHKMAZAWJNBJ-UPWYCXGZSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 3324 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |