| SpectraBase Compound ID | ECZkT7Yk289 |
|---|---|
| InChI | InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) |
| InChIKey | HZLCGUXUOFWCCN-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C22H40O7 |
| Exact Mass | 416.277404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 8dK98vULRdP |
|---|---|
| Name | Agaric acid |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 217832 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H40O7 |
| InChI | InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28) |
| InChIKey | HZLCGUXUOFWCCN-UHFFFAOYSA-N |
| Molecular Weight | 416.555 g/mol |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | 2-Hydroxy-1,2,3-nonaÂdecaneÂtricarboxylic acid; Agaricic acid; Agaricin |
| Wiley ID | SIAL_13CNMR_013390 |