Cholesteryl hemisuccinate
C31H50O4
1510-21-0 Copyright (C) 2025 ACS
 39 42  0  0  1  0  0  0  0  0999 V2000
   10.2709    5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8315    7.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4688    7.4059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4688    8.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8026    6.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8026    9.7159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8026   11.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1362   12.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4699   11.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1362   13.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0031    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6706    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3368    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    3.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0031    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706    6.1600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1351    4.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6695    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1351    6.6359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0403    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    2.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2201    2.5884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9142    5.7090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2224    3.1823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5088    8.0428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 23  1  1  1  0  0  0
 25  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 35 11  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  1  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  6  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  6  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 28  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 31 32  1  0  0  0  0
 31 39  1  6  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <cas.rn>
1510-21-0

> <cas.index.name>
Cholest-5-en-3-ol (3β)-, 3-(hydrogen butanedioate)

> <molecular.formula>
C31H50O4

> <molecular.weight>
486.73

> <melting.point.experimental>
180.43 °C

> <boiling.point.predicted>
585.973±43.00 °C    Press: 760.00 Torr

> <density.predicted>
1.069±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.401±0.17    Most Acidic Temp: 25 °C

$$$$
