Ketcher 11082312242D 1   1.00000     0.00000     0

 26 25  0     0  0            999 V2000
    4.0255   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8915   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7575   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4896   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2217   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0877   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9537   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8197   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6857   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5517   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4178   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3460   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4799   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6139   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7479   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8819   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0159   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1499   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2838   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2120   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0781   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9441   -8.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8101   -8.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2120   -7.3572    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  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 12 11  1  0     0  0
 12 13  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 13  1  0     0  0
 22 14  1  0     0  0
 23 22  1  0     0  0
 24 23  1  0     0  0
 24 25  1  0     0  0
 22 26  1  0     0  0
M  END
> <ID>
CHEBI:228175

> <NAME>
pentacosan-4-ol

> <DEFINITION>
A secondary fatty alcohol that is pentacosane substituted by a hydroxy group at position 4.

> <STAR>
3

> <SYNONYM>
4-pentacosanol; 4-hydroxypentacosane; 1-propyldocosanol

> <IUPAC_NAME>
pentacosan-4-ol

> <FORMULA>
C25H52O

> <MASS>
368.690

> <MONOISOTOPIC_MASS>
368.40182

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCC(O)CCC

> <INCHI>
InChI=1S/C25H52O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(26)23-4-2/h25-26H,3-24H2,1-2H3

> <INCHIKEY>
SRKMBVNKFOIBBE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
31849-05-5

$$$$