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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:90102 - (2
R
,4
S
)-rose oxide
Main
ChEBI Ontology
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ChEBI Name
(2
R
,4
S
)-rose oxide
ChEBI ID
CHEBI:90102
ChEBI ASCII Name
(2R,4S)-rose oxide
Definition
A rose oxide that has
R
configuration at position 2 and
S
configuration at position 4. Also known as (+)-
cis
-rose oxide.
Stars
This entity has been manually annotated by the ChEBI Team.
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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-/m0/s1
InChIKey
CZCBTSFUTPZVKJ-UWVGGRQHSA-N
SMILES
C1CO[C@H](C[C@H]1C)C=C(C)C
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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(2
R
,4
S
)-rose oxide (
CHEBI:90102
)
is a
rose oxide (
CHEBI:90075
)
(2
R
,4
S
)-rose oxide (
CHEBI:90102
)
is enantiomer of
(2
S
,4
R
)-rose oxide (
CHEBI:90098
)
Incoming
(2
S
,4
R
)-rose oxide (
CHEBI:90098
)
is enantiomer of
(2
R
,4
S
)-rose oxide (
CHEBI:90102
)
IUPAC Name
(2
R
,4
S
)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2
H
-pyran
Synonyms
Sources
(+)-(2
R
,4
S
)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2
H
-pyran
ChEBI
(+)-
cis
-rose oxide
ChEBI
(2
R
,4
S
)-(+)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2
H
-pyran
ChEBI
cis
-(+)-rose oxide
ChEBI
Registry Numbers
Types
Sources
1281401
Reaxys Registry Number
Reaxys
4610-11-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
25911965
PubMed citation
Europe PMC
Last Modified
26 October 2015