| SpectraBase Compound ID | Gp6D96rFx1R |
|---|---|
| InChI | InChI=1S/C24H29ClO9/c1-9-15(25)19-24(31,10(2)21(29)34-19)20(33-12(4)27)17-22(5)13(16(9)32-11(3)26)7-8-14(22)18(28)23(17,6)30/h7-8,10,13-17,19-20,30-31H,1H2,2-6H3/t10-,13+,14-,15-,16+,17+,19-,20-,22-,23-,24-/m0/s1 |
| InChIKey | YVQPCUBROHIYIE-BUKMJGKJSA-N |
| Mol Weight | 496.94 g/mol |
| Molecular Formula | C24H29ClO9 |
| Exact Mass | 496.15001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JWCYKdmDay |
|---|---|
| Name | AQUARIOLIDE_A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H29ClO9 |
| InChI | InChI=1S/C24H29ClO9/c1-9-15(25)19-24(31,10(2)21(29)34-19)20(33-12(4)27)17-22(5)13(16(9)32-11(3)26)7-8-14(22)18(28)23(17,6)30/h7-8,10,13-17,19-20,30-31H,1H2,2-6H3/t10-,13+,14-,15-,16+,17+,19-,20-,22-,23-,24-/m0/s1 |
| InChIKey | YVQPCUBROHIYIE-BUKMJGKJSA-N |
| Literature Reference Author | O.TAGLIALATELA-SCAFATI,U.DEO-JANGRA,M.CAMPBELL,M.ROBERGE,R.J .ANDERSEN |
| Literature Reference Citation | ORG.LETTERS,4,4085(2002) |
| Literature Reference DOI | 10.1021/ol026831m |
| Molecular Weight | 496.942 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ25119 |