Hydrocortisone cypionate
C29H42O6
508-99-6 Copyright (C) 2024 ACS
 38 42  0  0  1  0  0  0  0  0999 V2000
   10.1452    3.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2864    5.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0564    3.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0564    6.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5964    3.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3664    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9064    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5964    1.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6764    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9074    3.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.2593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0186    3.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    4.9266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4700    6.2604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7464    5.2468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4700    3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5004    7.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9074    6.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    3.5930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1600    4.9266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1600    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.9266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6200    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    6.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2164    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1215    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1215    2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5862    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5862    2.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2291    7.7813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3286    7.7479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0257    3.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
 16  2  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 31  1  0  0  0  0
 16 10  1  1  0  0  0
 21 11  1  6  0  0  0
 24 12  1  6  0  0  0
 13 30  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  1  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 37  1  6  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  1  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <cas.rn>
508-99-6

> <cas.index.name>
Pregn-4-ene-3,20-dione, 21-(3-cyclopentyl-1-oxopropoxy)-11,17-dihydroxy-, (11β)-

> <molecular.formula>
C29H42O6

> <molecular.weight>
486.64

> <boiling.point.predicted>
644.960±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.224±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.330±0.70    Most Acidic Temp: 25 °C

$$$$
