Ketcher 08031511242D 1   1.00000     0.00000     0

 32 35  0     0  0            999 V2000
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    8.0343   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -3.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1684   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023   -4.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1684   -3.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023   -5.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5703   -5.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -5.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1684   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0343   -2.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8516   -3.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9005   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7176   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1818   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9855   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8516   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8516   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7176   -1.7542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7044   -5.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -6.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023   -6.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9005   -4.5632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
 16  2  1  0     0  0
  4  3  1  0     0  0
  5  1  1  0     0  0
  6  3  1  0     0  0
  6 15  1  1     0  0
  2  7  2  0     0  0
  7  6  1  0     0  0
  7 11  1  0     0  0
  6  8  1  0     0  0
  8  5  1  0     0  0
  9  4  1  0     0  0
  9 29  1  1     0  0
  8 10  1  0     0  0
  9 10  1  0     0  0
 10 30  1  6     0  0
 11 12  1  0     0  0
 17 12  1  0     0  0
 16 13  1  0     0  0
 14 13  1  0     0  0
 27 14  1  0     0  0
 16 17  1  0     0  0
 17 27  1  0     0  0
 17 18  1  1     0  0
 19 20  1  0     0  0
 19 26  1  0     0  0
 25 20  1  0     0  0
 21 26  1  0     0  0
 23 21  1  0     0  0
 21 22  1  0     0  0
 25 24  1  6     0  0
 27 25  1  0     0  0
 27 28  1  6     0  0
  8 31  1  6     0  0
 16 32  1  6     0  0
M  END
> <ID>
CHEBI:87051

> <NAME>
4alpha-methyl-5alpha-cholest-8-en-3beta-ol

> <DEFINITION>
A 3β-sterol that is 5α-cholest-8-en-3β-ol carrying an additional methyl substituent at position 4α.

> <STAR>
3

> <SYNONYM>
Methost-8-enol; 4alpha-Methylcholesta-8-en-3beta-ol; 4-alpha-methyl-5-alpha-cholest-8-en-3-beta-ol

> <IUPAC_NAME>
(3beta,4alpha,5alpha)-4-methylcholest-8-en-3-ol

> <FORMULA>
C28H48O

> <MASS>
400.68010

> <MONOISOTOPIC_MASS>
400.37052

> <CHARGE>
0

> <SMILES>
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3

> <INCHI>
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1

> <INCHIKEY>
SCEZIHJVTBQOLS-YIJYGBTNSA-N

> <CAS_REGISTRY_NUMBER>
5241-22-5

> <REAXYS_REGISTRY_NUMBER>
6524903

> <CHEMIDPLUS>
5241-22-5

> <KEGG_COMPOUND_ACCESSION>
C05110

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST01010197

> <PUBMED_CITATION>
7104833

$$$$