| SpectraBase Compound ID | BYnbyS9DthV |
|---|---|
| InChI | InChI=1S/C22H22O6/c1-11-17(28-12(2)23)9-22-10-27-20(25)15(22)5-4-14-18-13(6-7-26-18)16(24)8-21(11,3)19(14)22/h5-7,14,17,19H,1,4,8-10H2,2-3H3/t14-,17+,19+,21-,22+/m0/s1 |
| InChIKey | YMTVHZDOUFZPRS-QJSROQMMSA-N |
| Mol Weight | 382.41 g/mol |
| Molecular Formula | C22H22O6 |
| Exact Mass | 382.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HU4ZLR2Vc4J |
|---|---|
| Name | 7-EPI-LANGUIDULINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O6 |
| InChI | InChI=1S/C22H22O6/c1-11-17(28-12(2)23)9-22-10-27-20(25)15(22)5-4-14-18-13(6-7-26-18)16(24)8-21(11,3)19(14)22/h5-7,14,17,19H,1,4,8-10H2,2-3H3/t14-,17+,19+,21-,22+/m0/s1 |
| InChIKey | YMTVHZDOUFZPRS-QJSROQMMSA-N |
| Literature Reference Author | E.MALDONADO,A.ORTEGA |
| Literature Reference Citation | PHYTOCHEM.,45,1461(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00168-4 |
| Molecular Weight | 382.413 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP595 |