| SpectraBase Compound ID | 3eEEGM4dlnP |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-25(6)18-16-23(28-29-25)22(5)24(26)27-7/h11,13,15,22-23H,8-10,12,14,16-18H2,1-7H3/b20-13+,21-15+/t22-,23+,25-/m1/s1 |
| InChIKey | LCYOYORSUQYOEM-CPPZXBGESA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8dH7A4GyBpD |
|---|---|
| Name | Sigmosceptrellin E - methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-25(6)18-16-23(28-29-25)22(5)24(26)27-7/h11,13,15,22-23H,8-10,12,14,16-18H2,1-7H3/b20-13+,21-15+/t22-,23+,25-/m1/s1 |
| InChIKey | LCYOYORSUQYOEM-CPPZXBGESA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | [C@@](C(=O)OC)([C@]1(OO[C@@](CC1)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)[H])(C)[H] |
| SPLASH | splash10-0002-0911000000-4f910d2a173a5cf2a1e2 |
| Source of Spectrum | G4-62-217-4 |
| Wiley ID | 1607723 |