![8.alpha.-[(Isobutyryl)oxy]-Ineupatorolide - 5-[O-Tiglate]](/api/spectrum/8lK2jHUFyCQ/structure.png?h=300&w=458 "8.alpha.-[(Isobutyryl)oxy]-Ineupatorolide - 5-[O-Tiglate]")
| SpectraBase Compound ID | 3iXIVIKvOLz |
|---|---|
| InChI | InChI=1S/C24H34O8/c1-8-13(4)22(27)32-20-19-16(15(6)23(28)31-19)18(30-21(26)12(2)3)17(25)14(5)10-9-11-24(20,7)29/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8+/t14-,16-,18-,19-,20-,24+/m1/s1 |
| InChIKey | AOUHEDCVDSHHTQ-WKCVSMAZSA-N |
| Mol Weight | 450.5 g/mol |
| Molecular Formula | C24H34O8 |
| Exact Mass | 450.225368 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8lK2jHUFyCQ |
|---|---|
| Name | 8.alpha.-[(Isobutyryl)oxy]-Ineupatorolide - 5-[O-Tiglate] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H34O8 |
| InChI | InChI=1S/C24H34O8/c1-8-13(4)22(27)32-20-19-16(15(6)23(28)31-19)18(30-21(26)12(2)3)17(25)14(5)10-9-11-24(20,7)29/h8,12,14,16,18-20,29H,6,9-11H2,1-5,7H3/b13-8+/t14-,16-,18-,19-,20-,24+/m1/s1 |
| InChIKey | AOUHEDCVDSHHTQ-WKCVSMAZSA-N |
| Molecular Weight | 450.528 g/mol |
| SMILES | O[C@@]1([C@@]([C@]2([C@@]([C@@](OC(=O)C(C)C)(C(=O)[C@@](CCC1)(C)[H])[H])(C(C(=O)O2)=C)[H])[H])(OC(\C(=C\C)C)=O)[H])C |
| SPLASH | splash10-0ac0-9000000000-cac7039720b4be878c85 |
| Source of Spectrum | X2-58-436-23 |
| Wiley ID | 1605855 |