Ketcher 10261516352D 1   1.00000     0.00000     0

 11 11  0     1  0            999 V2000
   12.4105   -6.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4105   -7.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5450   -6.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5450   -8.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6798   -6.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6798   -7.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5451   -5.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8115   -8.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8115   -9.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462   -9.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6769   -9.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  3  7  1  6     0  0
  6  8  1  1     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
M  END
> <ID>
CHEBI:90100

> <NAME>
(2R,4R)-rose oxide

> <DEFINITION>
A rose oxide in which both of the stereocentres have R configuration. It is also known as (−)-trans-rose oxide.

> <STAR>
3

> <SYNONYM>
(2R,4R)-(-)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran; (-)-trans-rose oxide; (-)-(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran

> <IUPAC_NAME>
(2R,4R)-4-methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran

> <FORMULA>
C10H18O

> <MASS>
154.250

> <MONOISOTOPIC_MASS>
154.13577

> <CHARGE>
0

> <SMILES>
C1CO[C@H](C[C@@H]1C)C=C(C)C

> <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-ZJUUUORDSA-N

> <CAS_REGISTRY_NUMBER>
5258-11-7

> <REAXYS_REGISTRY_NUMBER>
1680588

> <PUBMED_CITATION>
25911965; 26126958

$$$$