| SpectraBase Compound ID | LYXylwXsyfT |
|---|---|
| InChI | InChI=1S/C22H36O9/c1-7-8-9-16(24)10-11-17(25)31-18-12(2)19(26)22(6,28)20(30-15(5)23)13(3)21(27)29-14(18)4/h10-14,16,18-20,24,26,28H,7-9H2,1-6H3/b11-10+/t12-,13+,14+,16?,18-,19+,20-,22-/m1/s1 |
| InChIKey | GCTUDEYVOWVAEW-FTOJIMSRSA-N |
| Mol Weight | 444.5 g/mol |
| Molecular Formula | C22H36O9 |
| Exact Mass | 444.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 98dsnumeR7l |
|---|---|
| Name | 3-O-ACETYL-2-EPI-BOTCINOLIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O9 |
| InChI | InChI=1S/C22H36O9/c1-7-8-9-16(24)10-11-17(25)31-18-12(2)19(26)22(6,28)20(30-15(5)23)13(3)21(27)29-14(18)4/h10-14,16,18-20,24,26,28H,7-9H2,1-6H3/b11-10+/t12-,13+,14+,16?,18-,19+,20-,22-/m1/s1 |
| InChIKey | GCTUDEYVOWVAEW-FTOJIMSRSA-N |
| Literature Reference Author | I.G.COLLADO,J.ALEU,R.HERNANDEZ-GALAN,J.R.HANSON |
| Literature Reference Citation | PHYTOCHEM.,42,1621(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00164-1 |
| Molecular Weight | 444.522 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3258 |