| SpectraBase Compound ID | 6xp7WgrNPDB |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-21-18(22(23)26-20)15-16-19(21)25-17-24-2/h4-5,7-8,10-11,13-14,18-21H,3,6,9,12,15-17H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t18-,19+,20-,21-/m0/s1 |
| InChIKey | AZHSVOWYAHJFMY-XYWCVLCISA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6VQfe8qHUSF |
|---|---|
| Name | 5-O-Methoxymethylbacillariolide I |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-21-18(22(23)26-20)15-16-19(21)25-17-24-2/h4-5,7-8,10-11,13-14,18-21H,3,6,9,12,15-17H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t18-,19+,20-,21-/m0/s1 |
| InChIKey | AZHSVOWYAHJFMY-XYWCVLCISA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C1(O[C@](\C=C/C\C=C/C\C=C/C\C=C/CC)([H])[C@]2([C@@]1(CC[C@]2(OCOC)[H])[H])[H])=O |
| SPLASH | splash10-0002-9000000000-78ba916e28d9bfb4aaaf |
| Source of Spectrum | F-56-8093-1 |
| Wiley ID | 858918 |