| SpectraBase Compound ID | AjgNyH5uDxU |
|---|---|
| InChI | InChI=1S/C22H30O8/c1-7-11(2)20(25)30-19-18-15(13(4)21(26)29-18)17(28-14(5)23)16(24)12(3)9-8-10-22(19,6)27/h7,12,15,17-19,27H,4,8-10H2,1-3,5-6H3/b11-7+/t12-,15-,17-,18-,19-,22+/m1/s1 |
| InChIKey | PXHKCJRUGUPTOZ-QUGWNMSTSA-N |
| Mol Weight | 422.47 g/mol |
| Molecular Formula | C22H30O8 |
| Exact Mass | 422.194068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5A25281cf2 |
|---|---|
| Name | 8.alpha.-Acetoxy-Ineupatrolide D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O8 |
| InChI | InChI=1S/C22H30O8/c1-7-11(2)20(25)30-19-18-15(13(4)21(26)29-18)17(28-14(5)23)16(24)12(3)9-8-10-22(19,6)27/h7,12,15,17-19,27H,4,8-10H2,1-3,5-6H3/b11-7+/t12-,15-,17-,18-,19-,22+/m1/s1 |
| InChIKey | PXHKCJRUGUPTOZ-QUGWNMSTSA-N |
| Molecular Weight | 422.474 g/mol |
| SMILES | O[C@@]1([C@@]([C@]2([C@@]([C@](C(=O)[C@@](CCC1)(C)[H])(OC(=O)C)[H])(C(C(=O)O2)=C)[H])[H])(OC(\C(=C\C)C)=O)[H])C |
| SPLASH | splash10-0532-9300000000-fdad8c2fbd31923e47ba |
| Source of Spectrum | X2-58-436-20 |
| Wiley ID | 1605858 |