| 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 | 1FFa6iWSsYo |
|---|---|
| Name | 6-beta,5-alpha,8-alpha,12-.beta.-Tetrahydroxy-28-nor-isotoonafolin-type of cpd. |
| Alternate Name(s) | Toonaciliatin J |
| 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 |
| Molecular Weight | 490.505 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@]3([C@@]([C@]4([C@@]5([C@@]6([C@](C=C[C@@]5(O[C@]14[H])O)(OC([C@@]6(O)[H])=O)C)O)C)[H])(O)C)[C@@](C[C@]2(c1cocc1)[H])(O3)[H])C)[H] |
| SPLASH | splash10-0002-7901000000-059ae6ef016407f4a245 |
| Source of Spectrum | G4-72-688-3 |
| Wiley ID | 1702060 |