17-Hydroxypregnenolone
C21H32O3
387-79-1 Copyright (C) 2024 ACS
 27 30  0  0  1  0  0  0  0  0999 V2000
    8.1632    6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    3.7057    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
   12.1341    5.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8004    7.4059    0.0000 O   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  2  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
    5.3348    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
    8.0021    4.6200    0.0000 C   0  0  1  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
    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  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
    9.4668    5.0959    0.0000 C   0  0  1  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
   10.3720    3.8500    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
    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
    1.3337    0.7700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5518    1.0484    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
    4.4514    4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
 14  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17  3  1  1  0  0  0
 17  6  1  6  0  0  0
 24  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  1  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 26  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 27  1  6  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <cas.rn>
387-79-1

> <cas.index.name>
Pregn-5-en-20-one, 3,17-dihydroxy-, (3β)-

> <molecular.formula>
C21H32O3

> <molecular.weight>
332.48

> <melting.point.experimental>
260-262 °C

> <boiling.point.predicted>
478.355±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.158±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.020±0.70    Most Acidic Temp: 25 °C

$$$$
