| SpectraBase Compound ID | JukrMVvMmlE |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-7-10(16)12(18)15(19)6-8-5-13(2,3)11(17)9(8)14(7,15)4/h8-9,11,16-17,19H,5-6H2,1-4H3/t8-,9+,11-,14+,15-/m1/s1 |
| InChIKey | BDEAXAAAVNORJQ-PZYGVSLXSA-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 | LUoGPMXcwFd |
|---|---|
| Name | Connatusin A |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-7-10(16)12(18)15(19)6-8-5-13(2,3)11(17)9(8)14(7,15)4/h8-9,11,16-17,19H,5-6H2,1-4H3/t8-,9+,11-,14+,15-/m1/s1 |
| InChIKey | BDEAXAAAVNORJQ-PZYGVSLXSA-N |
| Instrument Name | Thermofinnigan MAT95XL |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0502286 |
| Molecular Weight | 266.337 g/mol |
| Optical Rotation | [a]D26 = -36.0 (c = 0.47, CHCl3) |
| Reported Formula | C15H22O4 |
| SMILES | OC=1C([C@]2([C@@](C1C)([C@]1([C@@](C2)(CC([C@@]1(O)[H])(C)C)[H])[H])C)O)=O |
| SPLASH | splash10-000f-1930000000-3f93158f65b84420da10 |
| Source of Spectrum | G4-68-1676-1 |
| Wiley ID | 1879484 |