Marvin  07010912142D          

 13 14  0  0  0  0            999 V2000
    1.2072    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2072   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4144    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -0.8785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3750   -0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    0.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024    0.8785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  1  0  0  0
  5  9  1  1  0  0  0
  5  2  1  0  0  0  0
  3  4  1  6  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7  6  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
> <ID>
CHEBI:31170

> <NAME>
O-acetyltropine

> <DEFINITION>
An O-acyltropine in which the acyl group is acetyl.

> <STAR>
3

> <SYNONYM>
endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol acetate (ester); Acetyltropine; 3-Acetyltropine

> <IUPAC_NAME>
(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl acetate

> <FORMULA>
C10H17NO2

> <MASS>
183.24750

> <MONOISOTOPIC_MASS>
183.12593

> <CHARGE>
0

> <SMILES>
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C)=O

> <INCHI>
InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+

> <INCHIKEY>
MDIDMOWWLBGYPG-MYJAWHEDSA-N

> <CAS_REGISTRY_NUMBER>
3423-27-6

> <CHEMIDPLUS>
3423-27-6

> <KNAPSACK_ACCESSION>
C00025551

> <NIST_CHEMISTRY_WEBBOOK>
3423-27-6

$$$$