Ketcher 05161709332D 1   1.00000     0.00000     0

 21 24  0     1  0            999 V2000
   10.9573   -4.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8270   -4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0923   -4.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9484   -3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7010   -4.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7858   -5.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0923   -5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2318   -4.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878   -3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   -2.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7054   -3.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6565   -4.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9666   -6.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2318   -6.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3760   -4.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6655   -3.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7010   -2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2497   -3.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3760   -5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5200   -6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9818   -2.1104    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  8 15  1  0     0  0
 11 16  1  0     0  0
 11 17  1  0     0  0
 12 18  1  0     0  0
 14 19  1  0     0  0
 19 20  1  1     0  0
  7 13  1  0     0  0
 10 11  1  0     0  0
 15 19  1  0     0  0
 16 18  1  0     0  0
 16 21  1  0     0  0
M  END
> <ID>
CHEBI:35348

> <NAME>
3beta-sterol

> <DEFINITION>
A sterol in which the hydroxy group at position 3 has β- configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1725; CHEBI:13609; CHEBI:1726; CHEBI:20248

> <SYNONYM>
3beta-sterols; 3beta-hydroxysteroids

> <FORMULA>
C19H31OR

> <MASS>
275.450

> <MONOISOTOPIC_MASS>
275.23749

> <CHARGE>
0

> <SMILES>
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CC[C@@H](C4)O)C

$$$$