Ketcher 06292114182D 1   1.00000     0.00000     0

 16 17  0     1  0            999 V2000
    8.5429   -6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -7.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4090   -5.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4090   -7.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2750   -6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2750   -7.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7610   -5.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7611   -7.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -7.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3521   -6.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1410   -7.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4663   -8.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4412   -8.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9834   -4.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -5.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0     0  0
  2  4  2  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  2  0     0  0
  1  7  1  0     0  0
  1  2  1  0     0  0
  7  8  1  0     0  0
  2  9  1  0     0  0
  8 11  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  6 12  1  0     0  0
  9 13  1  0     0  0
  9 14  1  0     0  0
  7 15  1  1     0  0
  1 16  1  1     0  0
M  END
> <ID>
CHEBI:173120

> <NAME>
(6R,7S)-himachala-9,11-diene

> <DEFINITION>
A sesquiterpene that is (9aS)-5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene substituted by methyl groups at positions 3, 5, 5 and 9R. It is a pheromone produced by males of several Phyllotreta species.

> <STAR>
3

> <SYNONYM>
(6R,7S)-himachala-9,11-diene; (6R,7S)-(+)-himachala-9,11-diene; (+)-(6R,7S)-himachala-9,11-diene

> <IUPAC_NAME>
(9R,9aS)-3,5,5,9-tetramethyl-5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene

> <FORMULA>
C15H24

> <MASS>
204.357

> <MONOISOTOPIC_MASS>
204.18780

> <CHARGE>
0

> <SMILES>
[H][C@@]12CC=C(C)C=C1C(C)(C)CCC[C@H]2C

> <INCHI>
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13+/m1/s1

> <INCHIKEY>
JMGZKUMTFGHNRS-OLZOCXBDSA-N

> <PUBMED_CITATION>
16273436; 17075723; 21181241; 26936952; 27518387

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