7α,25-Dihydroxycholesterol
C27H46O3
64907-22-8 Copyright (C) 2024 ACS
 34 37  0  0  1  0  0  0  0  0999 V2000
    8.1633    6.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8007    5.8660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8007    7.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    5.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    8.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    9.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4681   10.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2381    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8019   11.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6980   11.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026    3.7976    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
    8.0023    3.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6687    2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0023    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4670    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6687    0.7700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4670    5.0960    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6687    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3721    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3348    4.6201    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
    4.0012    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.7700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5543    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    1.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4516    4.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8406    6.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  1  0  0  0
 19  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  1  1  0  0  0
  3 20  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
  8 11  1  0  0  0  0
 23 12  1  1  0  0  0
 30 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  1  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 33  1  6  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  6  0  0  0
 21 24  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 26  2  0  0  0  0
 26 28  1  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
M  END
> <cas.rn>
64907-22-8

> <cas.index.name>
Cholest-5-ene-3,7,25-triol, (3β,7α)-

> <molecular.formula>
C27H46O3

> <molecular.weight>
418.65

> <melting.point.experimental>
235-236 °C

> <boiling.point.predicted>
548.471±35.00 °C    Press: 760.00 Torr

> <density.predicted>
1.083±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.106±0.70    Most Acidic Temp: 25 °C

$$$$
