| SpectraBase Compound ID | 94Cmm6ibjva |
|---|---|
| InChI | InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9,12-13,21-22H,1,7-8,10-11,14-15H2,2-6H3/b17-9+,18-13+,19-12+ |
| InChIKey | OXRFAFXABALFRS-FFGSEWCMSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C22H34O2 |
| Exact Mass | 330.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hap8Dtpcyum |
|---|---|
| Name | 13-Acetoxyneocembrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O2 |
| InChI | InChI=1S/C22H34O2/c1-16(2)21-14-13-18(4)10-7-9-17(3)11-8-12-19(5)22(15-21)24-20(6)23/h9,12-13,21-22H,1,7-8,10-11,14-15H2,2-6H3/b17-9+,18-13+,19-12+ |
| InChIKey | OXRFAFXABALFRS-FFGSEWCMSA-N |
| Molecular Weight | 330.512 g/mol |
| SMILES | C1(\C(=C\CC\C(=C\CC\C(=C\CC(C1)C(=C)C)C)C)C)OC(=O)C |
| SPLASH | splash10-00di-2970000000-1f28fbd8af2275cbbda8 |
| Source of Spectrum | QA-46-600-21 |
| Synonyms | Acetic acid [(2E,6E,10E)-2,6,10-trimethyl-13-(1-methylethenyl)-1-cyclotetradeca-2,6,10-trienyl] ester [(2E,6E,10E)-2,6,10-trimethyl-13-prop-1-en-2-ylcyclotetradeca-2,6,10-trien-1-yl] acetate [(2E,6E,10E)-13-isopropenyl-2,6,10-trimethyl-cyclotetradeca-2,6,10-trien-1-yl] acetate [(2E,6E,10E)-2,6,10-trimethyl-13-prop-1-en-2-yl-cyclotetradeca-2,6,10-trien-1-yl] ethanoate |
| Wiley ID | 863113 |