| SpectraBase Compound ID | G8hCqprvlvv |
|---|---|
| InChI | InChI=1S/C21H28O7/c1-11-7-8-21(10-25-13(3)22)16(9-11)28-17-12(2)20(21,6)19(27-15(5)24)18(17)26-14(4)23/h9,16-19H,2,7-8,10H2,1,3-6H3/t16-,17-,18+,19-,20+,21+/m0/s1 |
| InChIKey | ZFKNIHLORSMHPI-OXVGXARHSA-N |
| Mol Weight | 392.45 g/mol |
| Molecular Formula | C21H28O7 |
| Exact Mass | 392.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3CG2lIATRG |
|---|---|
| Name | TRICHOTHECA-9,12-DIENE-3-ALPHA,4-BETA,15-TRIYL-TRIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O7 |
| InChI | InChI=1S/C21H28O7/c1-11-7-8-21(10-25-13(3)22)16(9-11)28-17-12(2)20(21,6)19(27-15(5)24)18(17)26-14(4)23/h9,16-19H,2,7-8,10H2,1,3-6H3/t16-,17-,18+,19-,20+,21+/m0/s1 |
| InChIKey | ZFKNIHLORSMHPI-OXVGXARHSA-N |
| Literature Reference Author | S.CAMERON,E.W.COLVIN |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,365(1989) |
| Literature Reference DOI | 10.1039/p19890000365 |
| Molecular Weight | 392.449 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1225 |