LMST01040267
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   -4.5020   -1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5020   -2.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360   -2.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7701   -2.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7701   -1.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6360   -0.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1719   -1.9910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1719    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7701    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020    1.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3681    1.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3431    3.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3681   -2.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
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 15 16  1  0     0  0
 16 17  1  0     0  0
 17 12  1  0     0  0
  5 18  1  1     0  0
 12 19  1  1     0  0
  4 20  1  1     0  0
  9 21  1  1     0  0
 10 22  1  6     0  0
 11 23  1  6     0  0
 17 24  1  1     0  0
 24 25  1  6     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 28 32  1  1     0  0
 32 33  1  0     0  0
  2 34  1  1     0  0
M  END
> <LM_ID>
LMST01040267

> <COMMON_NAME>
24-ethylcoprostanol

> <SYSTEMATIC_NAME>
24R-5beta-stigmastan-3beta-ol

> <FORMULA>
C29H52O

> <MASS>
416.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LGJMUZUPVCAVPU-LYTJBBRRSA-N

> <INCHI>
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6917060

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$