| SpectraBase Compound ID | DL7VnJeQ4Po |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-12(18)20-11-13-5-6-15-14(16(2,3)19)8-10-17(15,4)9-7-13/h5,14-15,19H,6-11H2,1-4H3/t14-,15-,17-/m1/s1 |
| InChIKey | VHRJMEHJSCAVKS-BFYDXBDKSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2uBwL7HA2K |
|---|---|
| Name | Schisanwilsonene B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-12(18)20-11-13-5-6-15-14(16(2,3)19)8-10-17(15,4)9-7-13/h5,14-15,19H,6-11H2,1-4H3/t14-,15-,17-/m1/s1 |
| InChIKey | VHRJMEHJSCAVKS-BFYDXBDKSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | OC([C@]1([C@@]2([C@@](CC1)(CCC(=CC2)COC(=O)C)C)[H])[H])(C)C |
| SPLASH | splash10-052f-9500000000-553b4dafd97556fc7654 |
| Source of Spectrum | G4-72-677-2 |
| Synonyms | Acetic acid [(3R,3aR,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-2,3,3a,4,7,8-hexahydro-1H-azulen-6-yl]methyl ester [(3R,3aR,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-2,3,3a,4,7,8-hexahydro-1H-azulen-6-yl]methyl acetate [(3R,3aR,8aS)-3-(1-hydroxy-1-methyl-ethyl)-8a-methyl-2,3,3a,4,7,8-hexahydro-1H-azulen-6-yl]methyl acetate [(3R,3aR,8aS)-8a-methyl-3-(2-oxidanylpropan-2-yl)-2,3,3a,4,7,8-hexahydro-1H-azulen-6-yl]methyl ethanoate |
| Wiley ID | 1702064 |