| SpectraBase Compound ID | KRmwWshKLds |
|---|---|
| InChI | InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)/p-1/t19?,20?,21?,22-,23+,27+,28+,29+,30-/m1/s1 |
| InChIKey | PEYMPFXFOUIQGT-GCCHYOCUSA-M |
| Mol Weight | 551.8 g/mol |
| Molecular Formula | C30H47O7S |
| Exact Mass | 551.30425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LPUAYvxOum |
|---|---|
| Name | ECHINOCYSTIC-ACID-3-O-SULFATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H47O7S |
| InChI | InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)/p-1/t19?,20?,21?,22-,23+,27+,28+,29+,30-/m1/s1 |
| InChIKey | PEYMPFXFOUIQGT-GCCHYOCUSA-M |
| Literature Reference Author | E.AKAI,T.TAKEDO,Y.KOBAYASHI,Y.OGIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,3715(1985) |
| Literature Reference DOI | 10.1248/cpb.33.3715 |
| Molecular Weight | 551.759 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK593 |