| SpectraBase Compound ID | 3R80U0PR5ns |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3/t10-,12-,14-,15+,16+,17-,18+,20-/m0/s1 |
| InChIKey | XFRCVLKGZMPUFQ-ILKOOZTQSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J9f4SIKlj9w |
|---|---|
| Name | Phytocassane B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-6-11-9-13(21)15-12(10(11)2)7-8-14-19(3,4)17(23)16(22)18(24)20(14,15)5/h6,9-10,12,14-18,22-24H,1,7-8H2,2-5H3/t10-,12-,14-,15+,16+,17-,18+,20-/m0/s1 |
| InChIKey | XFRCVLKGZMPUFQ-ILKOOZTQSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](C([C@@]2(CC[C@@]3([C@@]([C@@]12C)(C(C=C([C@@]3(C)[H])C=C)=O)[H])[H])[H])(C)C)(O)[H])(O)[H])[H] |
| SPLASH | splash10-00kn-5921000000-88bca1d9f7ecefb12c1a |
| Source of Spectrum | F-51-7916-2 |
| Synonyms | (1R,4aS,4bS,5S,6R,7R,8aS,10aS)-2-ethenyl-5,6,7-trihydroxy-1,4b,8,8-tetramethyl-4a,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-4-one (1R,4aS,4bS,5S,6R,7R,8aS,10aS)-2-ethenyl-1,4b,8,8-tetramethyl-5,6,7-tris(oxidanyl)-4a,5,6,7,8a,9,10,10a-octahydro-1H-phenanthren-4-one |
| Wiley ID | 792637 |