| SpectraBase Compound ID | FkFMYd1DNmu |
|---|---|
| InChI | InChI=1S/C30H48O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8,20-23H,9-18H2,1-7H3,(H,31,32)(H,33,34,35)/p-1/t20-,21?,22?,23?,27?,28+,29?,30-/m1/s1 |
| InChIKey | HPTCFCREEHCWMI-ROBJBIISSA-M |
| Mol Weight | 535.8 g/mol |
| Molecular Formula | C30H47O6S |
| Exact Mass | 535.309335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSQgR2ReLE0 |
|---|---|
| Name | Oleanolic-acid-3-O-sulfate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C30H47O6S |
| InChI | InChI=1S/C30H48O6S/c1-25(2)14-16-30(24(31)32)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(36-37(33,34)35)26(3,4)21(27)10-13-29(22,28)7/h8,20-23H,9-18H2,1-7H3,(H,31,32)(H,33,34,35)/p-1/t20-,21?,22?,23?,27?,28+,29?,30-/m1/s1 |
| InChIKey | HPTCFCREEHCWMI-ROBJBIISSA-M |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 3715 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |