| SpectraBase Compound ID | ArwgLslOHoJ |
|---|---|
| InChI | InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 |
| InChIKey | PJBQQIKTIGUTST-PDURBABISA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C20H32O3 |
| Exact Mass | 320.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FrcV24ipElb |
|---|---|
| Name | Toonaciliatin M |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O3 |
| InChI | InChI=1S/C20H32O3/c1-5-17(2)11-7-15-18(3)9-6-10-19(4,16(21)22)14(18)8-12-20(15,23)13-17/h5,14-15,23H,1,6-13H2,2-4H3,(H,21,22)/t14-,15-,17+,18+,19+,20-/m1/s1 |
| InChIKey | PJBQQIKTIGUTST-PDURBABISA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 320.473 g/mol |
| Optical Rotation | [a]D21 = +20.0 (c = 0.125, CHCl3) |
| SMILES | O[C@]12[C@@]([C@@]3([C@]([C@@](C(O)=O)(CCC3)C)(CC1)[H])C)(CC[C@@](C2)(C=C)C)[H] |
| SPLASH | splash10-0a4i-5941000000-7f66472e1935f7adaa05 |
| Source of Spectrum | G4-72-SM46-6 |
| Wiley ID | 1872174 |