| SpectraBase Compound ID | DVz0QJ6XDx7 |
|---|---|
| InChI | InChI=1S/C25H30O10/c1-19-6-7-23(30)21(3,24(19,31)17(27)18(28)35-19)15-14(34-23)16(26)20(2)12(11-5-8-32-10-11)9-13-25(20,33-13)22(15,4)29/h5-8,10,12-17,26-27,29-31H,9H2,1-4H3/t12-,13+,14-,15+,16+,17-,19-,20+,21-,22+,23-,24+,25+/m0/s1 |
| InChIKey | HJPBFXRUKXPBFC-QCDNXPHXSA-N |
| Mol Weight | 490.51 g/mol |
| Molecular Formula | C25H30O10 |
| Exact Mass | 490.183897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrfqT0Z6Ulp |
|---|---|
| Name | TOONACILIATIN_J |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O10 |
| InChI | InChI=1S/C25H30O10/c1-19-6-7-23(30)21(3,24(19,31)17(27)18(28)35-19)15-14(34-23)16(26)20(2)12(11-5-8-32-10-11)9-13-25(20,33-13)22(15,4)29/h5-8,10,12-17,26-27,29-31H,9H2,1-4H3/t12-,13+,14-,15+,16+,17-,19-,20+,21-,22+,23-,24+,25+/m0/s1 |
| InChIKey | HJPBFXRUKXPBFC-QCDNXPHXSA-N |
| Literature Reference Author | H.D.CHEN,S.P.YANG,Y.WU,L.DONG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,685(2009) |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 490.507 g/mol |
| Sample ID | 32437 |
| Solvent | C5D5N |