| SpectraBase Compound ID | IGjj2lEPur3 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-10-8-20-16(19-4)7-12-5-6-13(17)11(2)14(12,3)9-15(10,16)18/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11-,14-,15-,16+/m1/s1 |
| InChIKey | SFCGEIHSBRXLDW-YWCGQCRUSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1BGc8vn4tM |
|---|---|
| Name | Microsphaeropsisin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-10-8-20-16(19-4)7-12-5-6-13(17)11(2)14(12,3)9-15(10,16)18/h5-7,10-11,18H,8-9H2,1-4H3/t10-,11-,14-,15-,16+/m1/s1 |
| InChIKey | SFCGEIHSBRXLDW-YWCGQCRUSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | O[C@]12[C@](C=C3[C@]([C@](C)(C(C=C3)=O)[H])(C)C1)(OC[C@]2(C)[H])OC |
| SPLASH | splash10-0fc0-0390000000-9a846d7c8dc954587241 |
| Source of Spectrum | G4-62-117-1 |
| Synonyms | (3R,3aR,4aR,5S,9aS)-3a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2,3,4,5-tetrahydrobenzo[f]benzofuran-6-one (3R,3aR,4aR,5S,9aS)-3a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2,3,4,5-tetrahydrobenzo[f][1]benzofuran-6-one (3R,3aR,4aR,5S,9aS)-9a-methoxy-3,4a,5-trimethyl-3a-oxidanyl-2,3,4,5-tetrahydrobenzo[f][1]benzofuran-6-one |
| Wiley ID | 1607683 |