| SpectraBase Compound ID | 36N34G8aAwf |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13-10-16(21)11-18-17(13)5-4-14(2)20(18,19(22)23-3)8-6-15-7-9-24-12-15/h7,9,12-14,17-18H,4-6,8,10-11H2,1-3H3/t13-,14-,17-,18+,20-/m1/s1 |
| InChIKey | YQPLNFIPBOECEJ-XLCISLMKSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BP8mTYHBh2y |
|---|---|
| Name | 3-Dehydrocajucarin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13-10-16(21)11-18-17(13)5-4-14(2)20(18,19(22)23-3)8-6-15-7-9-24-12-15/h7,9,12-14,17-18H,4-6,8,10-11H2,1-3H3/t13-,14-,17-,18+,20-/m1/s1 |
| InChIKey | YQPLNFIPBOECEJ-XLCISLMKSA-N |
| Molecular Weight | 332.440 g/mol |
| SMILES | [C@]1([C@@]2([C@]([C@](C)(CC(C2)=O)[H])([H])CC[C@]1(C)[H])[H])(C(=O)OC)CCc1cocc1 |
| SPLASH | splash10-0002-7490000000-e4f17da2c017991d953a |
| Source of Spectrum | E1-38-704-8 |
| Wiley ID | 1518195 |