| SpectraBase Compound ID | 6XQcmRKZsvp |
|---|---|
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,17?,18+,19+,20-,21+/m0/s1 |
| InChIKey | JQUKIICBZSMKGA-OHLLVNNHSA-N |
| Mol Weight | 361.48 g/mol |
| Molecular Formula | C21H31NO4 |
| Exact Mass | 361.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dqhrFgleSE |
|---|---|
| Name | GRACILINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NO4 |
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11+,12+,13-,14+,15-,16+,17?,18+,19+,20-,21+/m0/s1 |
| InChIKey | JQUKIICBZSMKGA-OHLLVNNHSA-N |
| Literature Reference Author | G.D.L.FUENTE,J.A.GAVIN,R.D.ACOSTA,F.SANCHEZ-FERRANDO |
| Literature Reference Citation | PHYTOCHEM.,34,553(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80044-S |
| Molecular Weight | 361.481 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU7396 |