| SpectraBase Compound ID | 1Omn1NDq5f1 |
|---|---|
| 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-MAIWFNNSSA-N |
| Mol Weight | 490.51 g/mol |
| Molecular Formula | C25H30O10 |
| Exact Mass | 490.183897 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8K40qd9HHIQ |
|---|---|
| Name | Toonaciliatin J |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-MAIWFNNSSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 490.505 g/mol |
| Optical Rotation | [a]D21 = +107.0 (c = 0.245, MeOH) |
| Reported Formula | C25H30O10 |
| SMILES | O[C@]1(C(O[C@@]2([C@]1([C@@]1([C@@](O[C@]3([C@]1([C@@]([C@@]14[C@@]([C@]3(O)[H])([C@@](C[C@]4(O1)[H])(c1ccoc1)[H])C)(C)O)[H])[H])(C=C2)O)C)O)C)=O)[H] |
| SPLASH | splash10-052b-9821000000-b1c3c34c43bbf427647c |
| Source of Spectrum | G4-72-SM24-3 |
| Wiley ID | 1872172 |