fluocortolone
  CDK     0223171738
null
 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0686   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -2.3890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0686   -3.2223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7810   -1.9735    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3562   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -3.6378    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4935   -3.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7810   -1.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935   -2.3890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3583   -3.2223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3562   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4955   -0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0666   -0.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079   -1.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0727   -1.9776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -3.6378    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3583   -4.8846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2100   -1.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0707   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831   -3.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -5.7096    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7831   -4.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955   -3.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955   -4.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100   -4.8805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -2.8128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0686   -4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0 
  3  2  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  6  3  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3 30  1  6  0  0  0 
  4  8  1  1  0  0  0 
  4  9  1  0  0  0  0 
 10  5  1  0  0  0  0 
 11  6  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 28  1  1  0  0  0 
  9  7  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  9 15  1  6  0  0  0 
 11 10  1  0  0  0  0 
 10 16  1  1  0  0  0 
 11 17  1  0  0  0  0 
 11 29  1  6  0  0  0 
 18 12  1  0  0  0  0 
 13 19  1  0  0  0  0 
 17 20  1  1  0  0  0 
 17 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 21  1  0  0  0  0 
 18 23  1  6  0  0  0 
 21 24  2  0  0  0  0 
 22 25  2  0  0  0  0 
 24 26  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
M  END
> <ID>
CHEBI:135581

> <NAME>
fluocortolone

> <STAR>
2

> <SYNONYM>
fluocortolon; flucortolone

> <FORMULA>
C22H29FO4

> <MASS>
376.462

> <MONOISOTOPIC_MASS>
376.20499

> <CHARGE>
0

> <SMILES>
C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C([C@H](C3)F)=CC(C=C4)=O)[H])[H])(C[C@H]([C@@H]2C(CO)=O)C)[H]

> <INCHI>
InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1

> <INCHIKEY>
GAKMQHDJQHZUTJ-ULHLPKEOSA-N

> <CAS_REGISTRY_NUMBER>
152-97-6

$$$$