| SpectraBase Compound ID | FoulM9ckyhg |
|---|---|
| InChI | InChI=1S/C27H36O5/c1-17(2)20-12-13-27(16-28)23(31-25(30)19-8-6-5-7-9-19)14-18(3)10-11-22-26(4,32-22)15-21(29)24(20)27/h5-9,14,21-24,28-29H,10-13,15-16H2,1-4H3/b18-14+/t21-,22+,23+,24-,26+,27+/m1/s1 |
| InChIKey | WDKVMJBCTKEABD-NYURXZHQSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O5 |
| Exact Mass | 440.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTBdvtGTKVA |
|---|---|
| Name | 2-O-BENZOYLNIGELLANOL-A |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O5 |
| InChI | InChI=1S/C27H36O5/c1-17(2)20-12-13-27(16-28)23(31-25(30)19-8-6-5-7-9-19)14-18(3)10-11-22-26(4,32-22)15-21(29)24(20)27/h5-9,14,21-24,28-29H,10-13,15-16H2,1-4H3/b18-14+/t21-,22+,23+,24-,26+,27+/m1/s1 |
| InChIKey | WDKVMJBCTKEABD-NYURXZHQSA-N |
| Literature Reference Author | T.MORIKAWA,F.XU,Y.KASHIMA,H.MATSUDA,K.NINOMIYA,M.YOSHIKAWA |
| Literature Reference Citation | ORG.LETTERS,6,869(2004) |
| Literature Reference DOI | 10.1021/ol036239c |
| Molecular Weight | 440.580 g/mol |
| Sample ID | 50187 |
| Solvent | CDCl3 |