| SpectraBase Compound ID | INJujR8yukj |
|---|---|
| InChI | InChI=1S/C17H26O3/c1-9-6-7-12-15(16(12,3)4)14-11(9)8-13(17(14,5)19)20-10(2)18/h11-15,19H,1,6-8H2,2-5H3/t11-,12+,13+,14+,15+,17-/m0/s1 |
| InChIKey | WNMGZFRQTATSEH-CXECBNLGSA-N |
| Mol Weight | 278.39 g/mol |
| Molecular Formula | C17H26O3 |
| Exact Mass | 278.188195 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AdT8jV85sTo |
|---|---|
| Name | 3-Acetoxy-spathulenol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O3 |
| InChI | InChI=1S/C17H26O3/c1-9-6-7-12-15(16(12,3)4)14-11(9)8-13(17(14,5)19)20-10(2)18/h11-15,19H,1,6-8H2,2-5H3/t11-,12+,13+,14+,15+,17-/m0/s1 |
| InChIKey | WNMGZFRQTATSEH-CXECBNLGSA-N |
| Molecular Weight | 278.392 g/mol |
| SMILES | O[C@@]1([C@]2([C@@]3(C(C)(C)[C@@]3(CCC([C@@]2(C[C@]1(OC(=O)C)[H])[H])=C)[H])[H])[H])C |
| SPLASH | splash10-1029-0950000000-2c80ba0fcaa20fa749a6 |
| Source of Spectrum | G4-64-371-1 |
| Synonyms | 3-Acetoxy-4-hydroxy-10-methylene-4,11,11-trimethyltricyclo[3.6.1.0(1,5).0(6,7)]undecane Acetic acid [(1aR,4aR,6R,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-6-yl] ester [(1aR,4aR,6R,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-6-yl] acetate [(1aR,4aR,6R,7R,7aR,7bR)-7-hydroxy-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-6-yl] acetate [(1aR,4aR,6R,7R,7aR,7bR)-1,1,7-trimethyl-4-methylidene-7-oxidanyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[e]azulen-6-yl] ethanoate |
| Wiley ID | 1608830 |