| SpectraBase Compound ID | DIw1b2xprBD |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(24)14(10-27-13(4)23)7-16-19(17)12(3)21(26)28-16/h6-7,15-19,24H,3,8-10H2,1-2,4-5H3/b11-6+,14-7-/t15-,16-,17+,18+,19-,22+/m0/s1 |
| InChIKey | IOURGKLXEVLPNY-GAZRFAECSA-N |
| Mol Weight | 420.46 g/mol |
| Molecular Formula | C22H28O8 |
| Exact Mass | 420.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3BmYHUh4CpO |
|---|---|
| Name | 15-Acetoxyheliangin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O8 |
| InChI | InChI=1S/C22H28O8/c1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(24)14(10-27-13(4)23)7-16-19(17)12(3)21(26)28-16/h6-7,15-19,24H,3,8-10H2,1-2,4-5H3/b11-6+,14-7-/t15-,16-,17+,18+,19-,22+/m0/s1 |
| InChIKey | IOURGKLXEVLPNY-GAZRFAECSA-N |
| Molecular Weight | 420.458 g/mol |
| SMILES | O[C@@]1(\C(COC(=O)C)=C/[C@]2([C@](C(C(=O)O2)=C)([C@@](C[C@]2(O[C@@]2(C1)[H])C)(OC(\C(=C\C)C)=O)[H])[H])[H])[H] |
| SPLASH | splash10-001i-9010000000-01bd5781d02bca2c3e00 |
| Source of Spectrum | X2-68-749-7 |
| Wiley ID | 1609581 |