| SpectraBase Compound ID | 5Z4ZfT38zI7 |
|---|---|
| InChI | InChI=1S/C22H28O6/c1-13-17(24)9-22-12-27-20(25)16(22)5-4-6-19(22)21(13,3)10-18(28-14(2)23)15-7-8-26-11-15/h5,7-8,11,13,17-19,24H,4,6,9-10,12H2,1-3H3/t13-,17-,18-,19-,21+,22-/m1/s1 |
| InChIKey | UMHLXQNTRGBKPY-QDGWLCPHSA-N |
| Mol Weight | 388.46 g/mol |
| Molecular Formula | C22H28O6 |
| Exact Mass | 388.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JEL4hF64J3O |
|---|---|
| Name | Salvisplendin C |
| Alternate Name(s) | Acetic acid [(1R)-2-[(6aR,7R,8S,9R,10aS)-9-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-7-yl]-1-(3-furanyl)ethyl] ester [(1R)-2-[(6aR,7R,8S,9R,10aS)-9-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-1-(furan-3-yl)ethyl] acetate [(1R)-2-[(6aR,7R,8S,9R,10aS)-9-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d]isobenzofuran-7-yl]-1-(3-furyl)ethyl] acetate [(1R)-2-[(6aR,7R,8S,9R,10aS)-7,8-dimethyl-9-oxidanyl-3-oxidanylidene-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-1-(furan-3-yl)ethyl] ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O6 |
| InChI | InChI=1S/C22H28O6/c1-13-17(24)9-22-12-27-20(25)16(22)5-4-6-19(22)21(13,3)10-18(28-14(2)23)15-7-8-26-11-15/h5,7-8,11,13,17-19,24H,4,6,9-10,12H2,1-3H3/t13-,17-,18-,19-,21+,22-/m1/s1 |
| InChIKey | UMHLXQNTRGBKPY-QDGWLCPHSA-N |
| Molecular Weight | 388.460 g/mol |
| SMILES | O[C@]1([C@@](C)([C@@]([C@@]2([C@]3(C(C(=O)OC3)=CCC2)C1)[H])(C[C@](c1cocc1)(OC(=O)C)[H])C)[H])[H] |
| SPLASH | splash10-0006-9440000000-b542f37e6d70edaba08f |
| Source of Spectrum | G4-69-1737-3 |
| Wiley ID | 1694576 |