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CHEBI:90098 - (2S,4R)-rose oxide
| Formula | C10H18O |
| Net Charge | 0 |
| Average Mass | 154.253 |
| Monoisotopic Mass | 154.13577 |
| SMILES | [H][C@@]1(C=C(C)C)C[C@H](C)CCO1 |
| InChI | InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m1/s1 |
| InChIKey | CZCBTSFUTPZVKJ-NXEZZACHSA-N |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,4R)-rose oxide (CHEBI:90098) has role fragrance (CHEBI:48318) |
| (2S,4R)-rose oxide (CHEBI:90098) has role plant metabolite (CHEBI:76924) |
| (2S,4R)-rose oxide (CHEBI:90098) is a rose oxide (CHEBI:90075) |
| (2S,4R)-rose oxide (CHEBI:90098) is enantiomer of (2R,4S)-rose oxide (CHEBI:90102) |
| Incoming Relation(s) |
| (2R,4S)-rose oxide (CHEBI:90102) is enantiomer of (2S,4R)-rose oxide (CHEBI:90098) |
| IUPAC Name |
|---|
| (2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran |
| Synonyms | Source |
|---|---|
| (−)-cis-rose oxide | ChEBI |
| (2S,4R)-(−)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran | ChEBI |
| (−)-(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran | ChEBI |
| (2S,4R)-4-methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran | ChEBI |
| cis-(−)-rose oxide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2464 | Reaxys |
| CAS:3033-23-6 | ChemIDplus |
| Citations |
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