| SpectraBase Compound ID | FOSD3mCYM0Y |
|---|---|
| InChI | InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-19,21-26H,1-6H2/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m1/s1 |
| InChIKey | XNFZJASXPNFCQW-NRLCZDKBSA-N |
| Mol Weight | 424.45 g/mol |
| Molecular Formula | C21H28O9 |
| Exact Mass | 424.173332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n2JTKBrPxY |
|---|---|
| Name | CREPISIDE-E |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O9 |
| InChI | InChI=1S/C21H28O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h10-19,21-26H,1-6H2/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m1/s1 |
| InChIKey | XNFZJASXPNFCQW-NRLCZDKBSA-N |
| Literature Reference Author | D.FONTANEL,C.GALTIER,J.C.DEBOUZY,A.GUEIFFIER,C.VIEL |
| Literature Reference Citation | PHYTOCHEM.,51,999(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00718-3 |
| Molecular Weight | 424.448 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN980 |