| SpectraBase Compound ID | IzUkU14yX5A |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-13(2)6-8-4-9-5-10(17)15(19,7-16)14(9,3)11(8)12(13)18/h5,8,11-12,16,18-19H,4,6-7H2,1-3H3/t8-,11-,12+,14+,15-/m0/s1 |
| InChIKey | BWDRVAKXNVFADI-VOUTZNEASA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZuhhi2a1Ru |
|---|---|
| Name | Connatusin B |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-13(2)6-8-4-9-5-10(17)15(19,7-16)14(9,3)11(8)12(13)18/h5,8,11-12,16,18-19H,4,6-7H2,1-3H3/t8-,11-,12+,14+,15-/m0/s1 |
| InChIKey | BWDRVAKXNVFADI-VOUTZNEASA-N |
| Instrument Name | Thermofinnigan MAT95XL |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0502286 |
| Molecular Weight | 266.337 g/mol |
| Optical Rotation | [a]D26 = +14.0 (c = 0.44, CHCl3) |
| Reported Formula | C15H22O4 |
| SMILES | O[C@]1(CO)[C@@]2(C(=CC1=O)C[C@@]1([C@]2([C@](C(C1)(C)C)(O)[H])[H])[H])C |
| SPLASH | splash10-055b-3910000000-483e5bea1c6a94131190 |
| Source of Spectrum | G4-68-1676-2 |
| Wiley ID | 1879485 |