| SpectraBase Compound ID | 2l36moh03S9 |
|---|---|
| InChI | InChI=1S/C25H28O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,8-9,11,14-18,27-28,30-31H,7H2,1-4H3/t11-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1 |
| InChIKey | ZAWCFJLPRJGSNA-SNPYWUFNSA-N |
| Mol Weight | 488.49 g/mol |
| Molecular Formula | C25H28O10 |
| Exact Mass | 488.168247 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kd8uw2lq8rW |
|---|---|
| Name | Toonaciliatin A |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O10 |
| InChI | InChI=1S/C25H28O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,8-9,11,14-18,27-28,30-31H,7H2,1-4H3/t11-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1 |
| InChIKey | ZAWCFJLPRJGSNA-SNPYWUFNSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070146c |
| Molecular Weight | 488.489 g/mol |
| Optical Rotation | [a]D21 = +91 (c = 0.05, MeOH) |
| Reported Formula | C25H28O10 |
| SMILES | O[C@]1([C@]23O[C@@]3(C[C@]([C@@]2([C@]([C@@]2([C@@]1([C@]1(C(O2)=CC([C@@]2(OC([C@@]([C@]12O)(O)[H])=O)C)=O)C)[H])[H])(O)[H])C)(c1cocc1)[H])[H])C |
| SPLASH | splash10-0umi-0900100000-e0da4077ca68ea2e36d9 |
| Source of Spectrum | G4-70-1272-1 |
| Wiley ID | 1874606 |