| SpectraBase Compound ID | JchO2ElgDFZ |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-16(20(22)23-18)14-15-17(19)21/h3-4,6-7,9-10,12-13,16-19,21H,2,5,8,11,14-15H2,1H3/b4-3+,7-6+,10-9+,13-12-/t16-,17+,18-,19-/m0/s1 |
| InChIKey | MUYSCJDPOFJXIF-VFICICIJSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IiwgNWGzAIn |
|---|---|
| Name | Bacillariolide I |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-19-16(20(22)23-18)14-15-17(19)21/h3-4,6-7,9-10,12-13,16-19,21H,2,5,8,11,14-15H2,1H3/b4-3+,7-6+,10-9+,13-12-/t16-,17+,18-,19-/m0/s1 |
| InChIKey | MUYSCJDPOFJXIF-VFICICIJSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1([C@@]2([C@@](C(O[C@]2(\C=C/C\C=C\C\C=C\C\C=C\CC)[H])=O)(CC1)[H])[H])[H] |
| SPLASH | splash10-0006-9000000000-1307c9b493070c7487c0 |
| Source of Spectrum | F-56-8093-1 |
| Synonyms | Bacillariolide II |
| Wiley ID | 858917 |