| SpectraBase Compound ID | BSmSAbadgS6 |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-11(23)26-17-16-15-14(8-7-13-6-5-9-22(3,4)10-13)18(25)28-19(15)29-20(16)30-21(17)27-12(2)24/h7-8,15-17,19-21H,5-6,9-10H2,1-4H3/b13-7-,14-8-/t15-,16-,17-,19+,20+,21-/m1/s1 |
| InChIKey | LJWUZALDGBNRAU-RFNGOUFYSA-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 | 9blFCOXy4XX |
|---|---|
| Name | Gracilin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O8 |
| InChI | InChI=1S/C22H28O8/c1-11(23)26-17-16-15-14(8-7-13-6-5-9-22(3,4)10-13)18(25)28-19(15)29-20(16)30-21(17)27-12(2)24/h7-8,15-17,19-21H,5-6,9-10H2,1-4H3/b13-7-,14-8-/t15-,16-,17-,19+,20+,21-/m1/s1 |
| InChIKey | LJWUZALDGBNRAU-RFNGOUFYSA-N |
| Molecular Weight | 420.458 g/mol |
| SMILES | [C@@]12([C@@](O[C@]3([C@@]2(\C(C(=O)O3)=C\C=C/2CC(C)(C)CCC2)[H])[H])(O[C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])[H])[H] |
| SPLASH | splash10-014i-0269200000-f9949dd719a724b70be5 |
| Source of Spectrum | X2-49-827-2 |
| Synonyms | Acetic acid [(2S,3R,3aR,3bS,4Z,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] ester [(2S,3R,3aR,3bS,4Z,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate [(2S,3R,3aR,3bS,4Z,6aR,7aS)-2-acetoxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxo-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] acetate [(2S,3R,3aR,3bS,4Z,6aR,7aS)-2-acetyloxy-4-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethylidene]-5-oxidanylidene-2,3,3a,3b,6a,7a-hexahydrodifuro[5,3-a:5',4'-d]furan-3-yl] ethanoate |
| Wiley ID | 1601996 |