| SpectraBase Compound ID | 6OcKqcOqB9W |
|---|---|
| InChI | InChI=1S/C31H42O4/c1-23(14-10-16-25(3)26(4)33)12-8-9-13-24(2)15-11-17-27(22-32)18-19-29-30(5,6)20-28(34)21-31(29,7)35/h8-18,28,32,34-35H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,23-12+,24-13+,25-16+,27-17-/t19?,28-,31-/m0/s1 |
| InChIKey | DBKBCDLLUXCJDJ-PGLPPYPFSA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C31H42O4 |
| Exact Mass | 478.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ky23rXkKmDh |
|---|---|
| Name | 19'-Hydroxyparacentrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H42O4 |
| InChI | InChI=1S/C31H42O4/c1-23(14-10-16-25(3)26(4)33)12-8-9-13-24(2)15-11-17-27(22-32)18-19-29-30(5,6)20-28(34)21-31(29,7)35/h8-18,28,32,34-35H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,23-12+,24-13+,25-16+,27-17-/t19?,28-,31-/m0/s1 |
| InChIKey | DBKBCDLLUXCJDJ-PGLPPYPFSA-N |
| Molecular Weight | 478.673 g/mol |
| SMILES | OC\C(C=C=C1[C@](C[C@](CC1(C)C)(O)[H])(O)C)=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(=O)C)C)C)C |
| SPLASH | splash10-03di-0000900000-ac51db7f9ce9d3abec19 |
| Source of Spectrum | KC-0-1229-16 |
| Wiley ID | 830376 |