| SpectraBase Compound ID | Hvt7vf3xXd2 |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m0/s1 |
| InChIKey | XVEOIKIXOSKAFL-GARNVBSBSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 63Tj5pq9O8b |
|---|---|
| Name | Phytocassane A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,20-/m0/s1 |
| InChIKey | XVEOIKIXOSKAFL-GARNVBSBSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@@]1(C(=O)C([C@]2([C@@]([C@@]3([C@@]([C@@](C)(C(=CC3=O)C=C)[H])([H])CC2)[H])(C1)C)[H])(C)C)[H] |
| SPLASH | splash10-0006-7952000000-bf18761c1c1435d4a791 |
| Source of Spectrum | F-51-7916-1 |
| Synonyms | (3S,4aS,4bS,8R,8aS,10aR)-7-ethenyl-3-hydroxy-1,1,4a,8-tetramethyl-3,4,4b,8,8a,9,10,10a-octahydrophenanthrene-2,5-dione (3S,4aS,4bS,8R,8aS,10aR)-3-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-3,4,4b,8,8a,9,10,10a-octahydrophenanthrene-2,5-dione (3S,4aS,4bS,8R,8aS,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-3-oxidanyl-3,4,4b,8,8a,9,10,10a-octahydrophenanthrene-2,5-dione |
| Wiley ID | 792638 |