CHEBI:90103 - (2S,4S)-rose oxide

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ChEBI Name (2S,4S)-rose oxide
ChEBI ID CHEBI:90103
ChEBI ASCII Name (2S,4S)-rose oxide
Definition A rose oxide in which both of the stereocentres have S configuration. It is also known as (+)-trans-rose oxide.
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+/m0/s1
InChIKey CZCBTSFUTPZVKJ-VHSXEESVSA-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 )
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ChEBI Ontology
Outgoing (2S,4S)-rose oxide (CHEBI:90103) is a rose oxide (CHEBI:90075)
(2S,4S)-rose oxide (CHEBI:90103) is enantiomer of (2R,4R)-rose oxide (CHEBI:90100)
Incoming (2R,4R)-rose oxide (CHEBI:90100) is enantiomer of (2S,4S)-rose oxide (CHEBI:90103)
IUPAC Name
(2S,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
Synonyms Sources
(+)-(2S,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran ChEBI
(+)-trans-rose oxide ChemIDplus
(2S,4S)-(+)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran ChEBI
trans-(+)-rose oxide ChEBI
trans-(2S,4S)-(+)-rose oxide ChemIDplus
Registry Numbers Types Sources
1281400 Reaxys Registry Number Reaxys
5258-10-6 CAS Registry Number ChemIDplus
Last Modified
26 October 2015