| SpectraBase Compound ID | 7ltcb24Jimj |
|---|---|
| InChI | InChI=1S/C22H28O7/c1-6-12(2)21(25)28-19-10-16(11-23)7-8-17(27-15(5)24)13(3)9-18-20(19)14(4)22(26)29-18/h6-7,9,17-20,23H,4,8,10-11H2,1-3,5H3/b12-6+,13-9+,16-7-/t17-,18+,19+,20-/m0/s1 |
| InChIKey | RZPYEYZQYKEIDA-WGDYGIOZSA-N |
| Mol Weight | 404.46 g/mol |
| Molecular Formula | C22H28O7 |
| Exact Mass | 404.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRpmVWYamX3 |
|---|---|
| Name | 3-BETA-ACETYLOXY-14-HYDROXY-8-BETA-TIGLOYLOXYCOSTUNOLIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O7 |
| InChI | InChI=1S/C22H28O7/c1-6-12(2)21(25)28-19-10-16(11-23)7-8-17(27-15(5)24)13(3)9-18-20(19)14(4)22(26)29-18/h6-7,9,17-20,23H,4,8,10-11H2,1-3,5H3/b12-6+,13-9+,16-7-/t17-,18+,19+,20-/m0/s1 |
| InChIKey | RZPYEYZQYKEIDA-WGDYGIOZSA-N |
| Literature Reference Author | L.R.HERNANDEZ,C.A.N.CATALAN,C.M.CERDA-GARCIA-ROJAS,P.JOSEPH- NATHAN |
| Literature Reference Citation | PHYTOCHEM.,42,1369(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00108-2 |
| Molecular Weight | 404.460 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3084 |