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CHEBI:145564 - exo-(−)-cinmethylin
| Formula | C18H26O2 |
| Net Charge | 0 |
| Average Mass | 274.404 |
| Monoisotopic Mass | 274.19328 |
| SMILES | Cc1ccccc1CO[C@H]1C[C@]2(C(C)C)CC[C@@]1(C)O2 |
| InChI | InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m0/s1 |
| InChIKey | QMTNOLKHSWIQBE-KSZLIROESA-N |
| Roles Classification |
|---|
| Biological Role: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| exo-(−)-cinmethylin (CHEBI:145564) is a 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane (CHEBI:145562) |
| exo-(−)-cinmethylin (CHEBI:145564) is enantiomer of exo-(+)-cinmethylin (CHEBI:145563) |
| Incoming Relation(s) |
| cinmethylin (CHEBI:3708) has part exo-(−)-cinmethylin (CHEBI:145564) |
| exo-(+)-cinmethylin (CHEBI:145563) is enantiomer of exo-(−)-cinmethylin (CHEBI:145564) |
| IUPAC Name |
|---|
| (1R,2S,4S)-1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane |
| Synonyms | Source |
|---|---|
| (1R,2S,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane | IUPAC |
| (−)-2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane | ChEBI |
| cinmethylin exo-(−)-isomer | ChEBI |