| SpectraBase Compound ID | 49fmV99kEle |
|---|---|
| InChI | InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7+/t18-,19+,20+,21-/m1/s1 |
| InChIKey | MVOORUCGKRDJFW-ZZBSXQHZSA-N |
| Mol Weight | 441.52 g/mol |
| Molecular Formula | C25H31NO6 |
| Exact Mass | 441.215138 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C03novRuXUZ |
|---|---|
| Name | Apicularen A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H31NO6 |
| InChI | InChI=1S/C25H31NO6/c1-2-3-4-5-11-23(29)26-12-7-9-19-16-21-15-18(27)14-20(31-21)13-17-8-6-10-22(28)24(17)25(30)32-19/h3-8,10-12,18-21,27-28H,2,9,13-16H2,1H3,(H,26,29)/b4-3-,11-5-,12-7+/t18-,19+,20+,21-/m1/s1 |
| InChIKey | MVOORUCGKRDJFW-ZZBSXQHZSA-N |
| Molecular Weight | 441.524 g/mol |
| SMILES | N(C(\C=C/C=C\CC)=O)\C=C\C[C@@]1(OC(c2c(C[C@@]3(O[C@](C[C@@](C3)(O)[H])(C1)[H])[H])cccc2O)=O)[H] |
| SPLASH | splash10-0a4l-0920200000-f6c8e9bedba0f7d7887d |
| Source of Spectrum | K1-2000-918-1 |
| Wiley ID | 749950 |