| SpectraBase Compound ID | EOmnqhX39Hq |
|---|---|
| InChI | InChI=1S/C26H34O12/c1-11-10-16-26(25(7,38-26)22(32)37-16)21(36-14(4)29)19-23(5,9-8-15(30)24(19,6)33)20(35-13(3)28)17(31)18(11)34-12(2)27/h8-10,15-21,30-31,33H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20+,21-,23+,24-,25+,26+/m0/s1 |
| InChIKey | SQRNWQJETGUHKY-CHVYBZKASA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C26H34O12 |
| Exact Mass | 538.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sqGiRsAVrM |
|---|---|
| Name | BrIARLIDE-J;12-DEACETYLBrIARLIDE-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O12 |
| InChI | InChI=1S/C26H34O12/c1-11-10-16-26(25(7,38-26)22(32)37-16)21(36-14(4)29)19-23(5,9-8-15(30)24(19,6)33)20(35-13(3)28)17(31)18(11)34-12(2)27/h8-10,15-21,30-31,33H,1-7H3/b11-10-/t15-,16+,17-,18+,19-,20+,21-,23+,24-,25+,26+/m0/s1 |
| InChIKey | SQRNWQJETGUHKY-CHVYBZKASA-N |
| Literature Reference Author | T.IWAGAWA,N.NISHITANI,M.NAKATANI,M.DOE,Y.MORIMOTO,K.TAKEMURA |
| Literature Reference Citation | J.NAT.PROD.,68,31(2005) |
| Literature Reference DOI | 10.1021/np040133o |
| Molecular Weight | 538.549 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ8441 |