CHEBI:90098 - (2S,4R)-rose oxide

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ChEBI Name (2S,4R)-rose oxide
ChEBI ASCII Name (2S,4R)-rose oxide
Definition A rose oxide that has S configuration at position 2 and R configuration at position 4. Also known as (−)-cis-rose oxide, it is responsible for the characteristic fragrance of roses.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H18O
Net Charge 0
Average Mass 154.250
Monoisotopic Mass 154.13577
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
SMILES C1CO[C@@](C[C@@H]1C)(C=C(C)C)[H]
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via rose oxide )
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (2R,4S)-rose oxide (CHEBI:90102) is enantiomer of (2S,4R)-rose oxide (CHEBI:90098)
Synonyms Sources
(−)-(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran ChEBI
(−)-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-methyl-1-propenyl)tetrahydro-2H-pyran ChEBI
cis-(−)-rose oxide ChEBI
Registry Numbers Types Sources
2464 Reaxys Registry Number Reaxys
3033-23-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18247534 PubMed citation Europe PMC
25911965 PubMed citation Europe PMC
Last Modified
26 October 2015