| SpectraBase Compound ID | Fr9qnIFCZrf |
|---|---|
| InChI | InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h13-15,17H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14+,15?,17+,21-/m1/s1 |
| InChIKey | AFCITBAGIYUEPK-GODCEGTOSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C21H32O7 |
| Exact Mass | 396.214803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gw6qhA9AGhN |
|---|---|
| Name | CRYPTOPORIC-ACID-H |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O7 |
| InChI | InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h13-15,17H,1,5-11H2,2-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14+,15?,17+,21-/m1/s1 |
| InChIKey | AFCITBAGIYUEPK-GODCEGTOSA-N |
| Literature Reference Author | G.M.CABRERA,M.J.ROBERTI,J.E.WRIGHT,A.M.SELDES |
| Literature Reference Citation | PHYTOCHEM.,61,189(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00221-2 |
| Molecular Weight | 396.481 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU29336 |