| SpectraBase Compound ID | JifWShszmeN |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-11(2)14-7-8-17(4,19)16-6-5-13(9-15(14)16)10-20-12(3)18/h9,11,14-16,19H,5-8,10H2,1-4H3/t14-,15-,16-,17-/m0/s1 |
| InChIKey | XLTDPRQIEUARTG-QAETUUGQSA-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 | K4JSvqGAsuh |
|---|---|
| Name | 15-Acetoxy-T-muurolol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-11(2)14-7-8-17(4,19)16-6-5-13(9-15(14)16)10-20-12(3)18/h9,11,14-16,19H,5-8,10H2,1-4H3/t14-,15-,16-,17-/m0/s1 |
| InChIKey | XLTDPRQIEUARTG-QAETUUGQSA-N |
| Molecular Weight | 280.408 g/mol |
| SMILES | O[C@@]1([C@@]2([C@]([C@@](CC1)(C(C)C)[H])(C=C(CC2)COC(=O)C)[H])[H])C |
| SPLASH | splash10-0pb9-0950000000-86dd7ff2412b832ee1d9 |
| Source of Spectrum | E2-51-989-1 |
| Synonyms | Acetic acid [(4aS,5S,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl ester [(4aS,5S,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl acetate [(4aS,5S,8S,8aR)-5-hydroxy-8-isopropyl-5-methyl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl acetate [(4aS,5S,8S,8aR)-5-methyl-5-oxidanyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl ethanoate |
| Wiley ID | 1556239 |