| SpectraBase Compound ID | 2tBzYP7zn8e |
|---|---|
| InChI | InChI=1S/C25H36O6S/c1-7-32-11-10-19(26)30-18-9-8-16(4)24(6)14-25(17(5)13-29-23(25)28)22(21(18)24)31-20(27)12-15(2)3/h10-11,15-16,18,21-22H,5,7-9,12-14H2,1-4,6H3/b11-10+/t16-,18-,21+,22+,24+,25+/m0/s1 |
| InChIKey | KMYDTELZPCSYIK-IYDITMHLSA-N |
| Mol Weight | 464.6 g/mol |
| Molecular Formula | C25H36O6S |
| Exact Mass | 464.22326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4owngi61Sb |
|---|---|
| Name | BAKKENOLIDE-VI |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O6S |
| InChI | InChI=1S/C25H36O6S/c1-7-32-11-10-19(26)30-18-9-8-16(4)24(6)14-25(17(5)13-29-23(25)28)22(21(18)24)31-20(27)12-15(2)3/h10-11,15-16,18,21-22H,5,7-9,12-14H2,1-4,6H3/b11-10+/t16-,18-,21+,22+,24+,25+/m0/s1 |
| InChIKey | KMYDTELZPCSYIK-IYDITMHLSA-N |
| Literature Reference Author | Z.L.SUN,G.L.GAO,J.Y.LUO,X.L.ZHANG,M.ZHANG,J.FENG |
| Literature Reference Citation | FITOTERAPIA,82,401(2011) |
| Literature Reference DOI | 10.1016/j.fitote.2010.11.020 |
| Molecular Weight | 464.617 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWDB1133 |