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

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ChEBI Name	(2S,4R)-rose oxide

ChEBI ID	CHEBI:90098

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

Download	Molfile XML SDF

Formula

C10H18O

Net Charge

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

InChIKey

CZCBTSFUTPZVKJ-NXEZZACHSA-N

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.

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)

IUPAC Name

(2S,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran

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

Last Modified

26 October 2015