| SpectraBase Compound ID | 7Z5QHm1fuV6 |
|---|---|
| InChI | InChI=1S/C20H25ClO7/c1-9(4-5-22)18(24)27-13-7-20(26,8-21)16-12(23)6-10(2)14(16)17-15(13)11(3)19(25)28-17/h4,6,12-17,22-23,26H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14?,15-,16?,17-,20+/m1/s1 |
| InChIKey | CAFZWQATQRNADA-FRKHOPSKSA-N |
| Mol Weight | 412.87 g/mol |
| Molecular Formula | C20H25ClO7 |
| Exact Mass | 412.128881 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CMdgFpv8AU0 |
|---|---|
| Name | Eupachinilide C |
| Appearance | Gum |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25ClO7 |
| InChI | InChI=1S/C20H25ClO7/c1-9(4-5-22)18(24)27-13-7-20(26,8-21)16-12(23)6-10(2)14(16)17-15(13)11(3)19(25)28-17/h4,6,12-17,22-23,26H,3,5,7-8H2,1-2H3/b9-4+/t12-,13-,14?,15-,16?,17-,20+/m1/s1 |
| InChIKey | CAFZWQATQRNADA-FRKHOPSKSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0304159 |
| Molecular Weight | 412.866 g/mol |
| Optical Rotation | [a]D20 = -66.9 (c = 0.50, CH3OH) |
| Reported Formula | C20H25ClO7 |
| SMILES | O[C@]1(C2C([C@@]3([C@@]([C@](OC(\C(=C\CO)C)=O)(C1)[H])(C(C(O3)=O)=C)[H])[H])C(=C[C@]2(O)[H])C)CCl |
| SPLASH | splash10-00kk-9011000000-f1253ec48296025b66d4 |
| Source of Spectrum | G4-67-643-3 |
| Wiley ID | 1881710 |