| SpectraBase Compound ID | 2Kk6JIopAoK |
|---|---|
| InChI | InChI=1S/C19H20O4/c1-9-10-4-6-12-16(10)17-14(21-9)8-13-11(5-7-15(20)22-13)18(17)23-19(12,2)3/h5,7-10,12,16H,4,6H2,1-3H3/t9?,10-,12-,16?/m0/s1 |
| InChIKey | WHOUPFHSDIFLJE-QNIGAJDWSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C19H20O4 |
| Exact Mass | 312.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G5HEAXpKSdL |
|---|---|
| Name | Deoxy-bruceol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H20O4 |
| InChI | InChI=1S/C19H20O4/c1-9-10-4-6-12-16(10)17-14(21-9)8-13-11(5-7-15(20)22-13)18(17)23-19(12,2)3/h5,7-10,12,16H,4,6H2,1-3H3/t9?,10-,12-,16?/m0/s1 |
| InChIKey | WHOUPFHSDIFLJE-QNIGAJDWSA-N |
| Molecular Weight | 312.365 g/mol |
| SMILES | c12c3OC([C@@]4(C2[C@@](CC4)(C(Oc1cc1OC(=O)C=Cc31)C)[H])[H])(C)C |
| SPLASH | splash10-01t9-0094000000-8feb38d89147855a9c8a |
| Source of Spectrum | X2-55-683-2 |
| Wiley ID | 1604437 |