85624090
  CDK     0602212312

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.5592   -2.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413   -1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8268   -1.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3219   -0.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3219   -1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3616   -1.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1124   -1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033   -0.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8268    0.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401   -2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3549   -2.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413   -1.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0992   -2.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5782    0.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1124   -0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5413    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969   -1.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832   -2.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680   -0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8149   -1.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081   -2.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3855    0.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0273    1.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6418    1.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4491    1.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7053    2.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5126    2.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1544    3.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  2 23  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3 14  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4 11  1  0  0  0  0 
  4 18  1  0  0  0  0 
  5  9  1  0  0  0  0 
  5 12  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6 16  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 19  1  0  0  0  0 
  8 21  1  0  0  0  0 
  9 17  2  0  0  0  0 
 11 17  1  0  0  0  0 
 12 15  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 20  1  0  0  0  0 
 16 24  1  0  0  0  0 
 16 25  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 23  1  0  0  0  0 
 22 23  1  0  0  0  0 
 24 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
M  END
> <ID>
CHEBI:175330

> <NAME>
(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol

> <STAR>
2

> <IUPAC_NAME>
10,13,14-trimethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol

> <FORMULA>
C28H46O2

> <MASS>
414.674

> <MONOISOTOPIC_MASS>
414.34978

> <CHARGE>
0

> <SMILES>
OC1C2C3(C(C(CC3)C(CCC=C(C)C)C)(CC=C2C4(C(C1)CC(O)CC4)C)C)C

> <INCHI>
InChI=1S/C28H46O2/c1-18(2)8-7-9-19(3)22-11-15-28(6)25-23(12-14-27(22,28)5)26(4)13-10-21(29)16-20(26)17-24(25)30/h8,12,19-22,24-25,29-30H,7,9-11,13-17H2,1-6H3

> <INCHIKEY>
GVYKPOLJSCOPHA-UHFFFAOYSA-N

$$$$