| SpectraBase Compound ID | 6KyyyZiS6fF |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-16(2)11-21(27)29-15-25(28)14-24-13-17(25)7-8-18(24)23(5)10-6-9-22(3,4)19(23)12-20(24)26/h11,17-20,26,28H,6-10,12-15H2,1-5H3/t17?,18-,19+,20-,23-,24?,25-/m0/s1 |
| InChIKey | HGXSLFHBGBEREA-CXEIMROLSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JBH6F3RlkgZ |
|---|---|
| Name | Sculponeatin N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-16(2)11-21(27)29-15-25(28)14-24-13-17(25)7-8-18(24)23(5)10-6-9-22(3,4)19(23)12-20(24)26/h11,17-20,26,28H,6-10,12-15H2,1-5H3/t17?,18-,19+,20-,23-,24?,25-/m0/s1 |
| InChIKey | HGXSLFHBGBEREA-CXEIMROLSA-N |
| Molecular Weight | 404.591 g/mol |
| SMILES | O[C@]1(C[C@@]2(C(CCC[C@]2([C@]2(C11C[C@@](C(CC2)C1)(COC(C=C(C)C)=O)O)[H])C)(C)C)[H])[H] |
| SPLASH | splash10-001i-9040000000-35cf1f950a36c3576cd8 |
| Source of Spectrum | E1-57-526-1 |
| Wiley ID | 1661680 |