| SpectraBase Compound ID | Js6NT6bttY4 |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-19-9-8-10-23-25(19,3)15-11-21-12-16-31-27(32-20(2)28,22-17-24(29)30-18-22)14-7-5-6-13-26(21,23)4/h5,7,9,17,21,23H,6,8,10-16,18H2,1-4H3/b7-5-/t21-,23+,25+,26+,27+/m1/s1 |
| InChIKey | FXQAKZOHEHUXQL-PNEIOKNPSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H3Vlk3AgOP9 |
|---|---|
| Name | Cacospongiolide E - Acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-19-9-8-10-23-25(19,3)15-11-21-12-16-31-27(32-20(2)28,22-17-24(29)30-18-22)14-7-5-6-13-26(21,23)4/h5,7,9,17,21,23H,6,8,10-16,18H2,1-4H3/b7-5-/t21-,23+,25+,26+,27+/m1/s1 |
| InChIKey | FXQAKZOHEHUXQL-PNEIOKNPSA-N |
| Molecular Weight | 442.596 g/mol |
| SMILES | C1([C@]2(OC(=O)C)OCC[C@@]3([C@]([C@]4(CCC=C([C@@]4(CC3)C)C)[H])(C)CCC=CC2)[H])=CC(=O)OC1 |
| SPLASH | splash10-0006-0900000000-e11a536d4d6c130dea00 |
| Source of Spectrum | G4-61-934-4 |
| Wiley ID | 1607379 |