![8.alpha.-[(Isobutyryl)oxy]-Ineupatrolide A](/api/spectrum/Kr2iTxSeQdZ/structure.png?h=300&w=458 "8.alpha.-[(Isobutyryl)oxy]-Ineupatrolide A")
| SpectraBase Compound ID | 81A3aiTF6ZA |
|---|---|
| InChI | InChI=1S/C25H38O8/c1-8-13(3)22(27)31-19-17-16(6)24(29)32-20(17)21(33-23(28)14(4)9-2)25(7,30)12-10-11-15(5)18(19)26/h13-15,17,19-21,30H,6,8-12H2,1-5,7H3/t13?,14?,15-,17-,19-,20-,21-,25+/m1/s1 |
| InChIKey | SODSJXJDYKDOGN-HAKYZNNASA-N |
| Mol Weight | 466.6 g/mol |
| Molecular Formula | C25H38O8 |
| Exact Mass | 466.256668 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kr2iTxSeQdZ |
|---|---|
| Name | 8.alpha.-[(Isobutyryl)oxy]-Ineupatrolide A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O8 |
| InChI | InChI=1S/C25H38O8/c1-8-13(3)22(27)31-19-17-16(6)24(29)32-20(17)21(33-23(28)14(4)9-2)25(7,30)12-10-11-15(5)18(19)26/h13-15,17,19-21,30H,6,8-12H2,1-5,7H3/t13?,14?,15-,17-,19-,20-,21-,25+/m1/s1 |
| InChIKey | SODSJXJDYKDOGN-HAKYZNNASA-N |
| Molecular Weight | 466.571 g/mol |
| SMILES | O[C@@]1([C@@]([C@]2([C@@]([C@@](OC(=O)C(CC)C)(C(=O)[C@@](CCC1)(C)[H])[H])(C(C(=O)O2)=C)[H])[H])(OC(=O)C(CC)C)[H])C |
| SPLASH | splash10-0a4r-9200000000-af7e39e03ab42dee2de3 |
| Source of Spectrum | X2-58-436-12 |
| Wiley ID | 1605861 |