Mometasone
C22H28Cl2O4
105102-22-5 Copyright (C) 2024 ACS
 30 33  0  0  1  0  0  0  0  0999 V2000
    4.4514    4.3415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    3.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1632    6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    7.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341    5.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341    8.1759    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8403    6.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9120    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0010    2.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3348    4.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0021    3.0800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6684    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4668    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4668    5.0959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3720    3.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3337    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574    1.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7953    1.7599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 14  2  1  1  0  0  0
 15  3  1  1  0  0  0
 21  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
 26  5  1  1  0  0  0
  6  8  1  0  0  0  0
 26  9  1  6  0  0  0
 27 10  1  6  0  0  0
 11 28  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  1  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 30  1  6  0  0  0
 17 23  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  2  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
105102-22-5

> <cas.index.name>
Pregna-1,4-diene-3,20-dione, 9,21-dichloro-11,17-dihydroxy-16-methyl-, (11β,16α)-

> <molecular.formula>
C22H28Cl2O4

> <molecular.weight>
427.36

> <boiling.point.predicted>
586.566±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.350±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.076±0.70    Most Acidic Temp: 25 °C

$$$$
