| SpectraBase Compound ID | LXkNbkpfcmM |
|---|---|
| InChI | InChI=1S/C26H36O9/c1-15-23(35-18(4)29)24(31)26(14-34-17(3)28)20(13-32-16(2)27)7-6-8-21(26)25(15,5)10-9-19-11-22(30)33-12-19/h7,11,15,21,23-24,31H,6,8-10,12-14H2,1-5H3/t15-,21+,23+,24-,25-,26-/m0/s1 |
| InChIKey | QQUXECAHYZGIOL-NIXXOLAWSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C26H36O9 |
| Exact Mass | 492.235933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVDRl1vO5OJ |
|---|---|
| Name | 7-BETA-HYDROXY-6-ALPHA,18,19-TRIACETOXY-NEO-CLERODA-3,13-DIEN-15,16-OLIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O9 |
| InChI | InChI=1S/C26H36O9/c1-15-23(35-18(4)29)24(31)26(14-34-17(3)28)20(13-32-16(2)27)7-6-8-21(26)25(15,5)10-9-19-11-22(30)33-12-19/h7,11,15,21,23-24,31H,6,8-10,12-14H2,1-5H3/t15-,21+,23+,24-,25-,26-/m0/s1 |
| InChIKey | QQUXECAHYZGIOL-NIXXOLAWSA-N |
| Literature Reference Author | E.MALDOONADO,A.ORTEGA |
| Literature Reference Citation | PHYTOCHEM.,46,1249(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80021-0 |
| Molecular Weight | 492.566 g/mol |
| Sample ID | 52637 |
| Solvent | CDCl3 |