Marvin  05060817112D          

 16 17  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1638   -0.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1637    0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595    0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3595   -0.9267    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9470   -1.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
 10  5  2  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
  6 15  1  0  0  0  0
  6 11  1  1  0  0  0
 15  7  1  0  0  0  0
  7  9  1  0  0  0  0
 10  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:49208

> <NAME>
(R)-beta-himachalene

> <DEFINITION>
The (R)-enantiomer of β-himachalene.

> <STAR>
3

> <SYNONYM>
beta-himachalene; (R)-2,4a,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene; (+)-2,4abeta,5,6,7,8-hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene

> <IUPAC_NAME>
himachal-1(11),4-diene; (4aR)-3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene

> <FORMULA>
C15H24

> <MASS>
204.35106

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
[H][C@]12C=C(C)CCC1=C(C)CCCC2(C)C

> <INCHI>
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m0/s1

> <INCHIKEY>
LCOSCMLXPAQCLQ-AWEZNQCLSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1938542

> <CAS_REGISTRY_NUMBER>
1461-03-6

> <REAXYS_REGISTRY_NUMBER>
1938542

> <CHEMIDPLUS>
1461-03-6

> <NIST_CHEMISTRY_WEBBOOK>
1461-03-6

$$$$