| SpectraBase Compound ID | BbfYVx9N5KI |
|---|---|
| InChI | InChI=1S/C26H39NO8/c1-13(28)35-21-25-20-24(17(31-5)7-8-22(2,11-27(20)3)26(21,24)29)15-9-14-16(30-4)10-23(25,33-12-34-25)18(15)19(14)32-6/h14-21,29H,7-12H2,1-6H3/t14-,15?,16+,17+,18?,19+,20?,21-,22+,23-,24-,25+,26+/m1/s1 |
| InChIKey | NQNXYCKCGCWBOW-RJLKXBEPSA-N |
| Mol Weight | 493.6 g/mol |
| Molecular Formula | C26H39NO8 |
| Exact Mass | 493.267567 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0JlQRHqrjT |
|---|---|
| Name | BONVALOTINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H39NO8 |
| InChI | InChI=1S/C26H39NO8/c1-13(28)35-21-25-20-24(17(31-5)7-8-22(2,11-27(20)3)26(21,24)29)15-9-14-16(30-4)10-23(25,33-12-34-25)18(15)19(14)32-6/h14-21,29H,7-12H2,1-6H3/t14-,15?,16+,17+,18?,19+,20?,21-,22+,23-,24-,25+,26+/m1/s1 |
| InChIKey | NQNXYCKCGCWBOW-RJLKXBEPSA-N |
| Literature Reference Author | Q.P.JIANG,W.L.SUNG |
| Literature Reference Citation | HETEROCYCLES,22,2429(1984) |
| Literature Reference DOI | 10.3987/R-1984-11-2429 |
| Molecular Weight | 493.598 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS9305 |