| SpectraBase Compound ID | 8FYSjDHTbh3 |
|---|---|
| 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/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3/t11-,13-,16-,17+,18-,20-/m0/s1 |
| InChIKey | DGUIKAVSMBLZCL-HHDROYBHSA-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 | 6tI6hkdilnP |
|---|---|
| Name | Phytocassane D |
| 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/h6,9,11,13,16-18,23H,1,7-8,10H2,2-5H3/t11-,13-,16-,17+,18-,20-/m0/s1 |
| InChIKey | DGUIKAVSMBLZCL-HHDROYBHSA-N |
| Molecular Weight | 316.441 g/mol |
| SMILES | O[C@]1(C(C[C@@]2([C@@]3([C@@]([C@@](C)(C(=CC3=O)C=C)[H])([H])CC[C@]2(C1(C)C)[H])[H])C)=O)[H] |
| SPLASH | splash10-0006-7952000000-ee79e6bc3ccba5bf0cec |
| Source of Spectrum | F-51-7917-4 |
| Synonyms | (2R,4aS,4bS,8R,8aS,10aR)-7-ethenyl-2-hydroxy-1,1,4a,8-tetramethyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione (2R,4aS,4bS,8R,8aS,10aR)-2-hydroxy-1,1,4a,8-tetramethyl-7-vinyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione (2R,4aS,4bS,8R,8aS,10aR)-7-ethenyl-1,1,4a,8-tetramethyl-2-oxidanyl-2,4,4b,8,8a,9,10,10a-octahydrophenanthrene-3,5-dione |
| Wiley ID | 792635 |