Lithocholic acid.cdx
csChFnd80/04251317502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2613    3.4686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0464    2.7869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2776    4.8703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5749    3.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    3.4905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0464    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5915    5.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0793    5.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830    4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.7869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8645    4.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0587    6.6400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6333    1.3796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4131    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    4.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4273    6.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1296    7.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3124    5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    1.3796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6864    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    5.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1646    7.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629    4.1886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2681    6.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 27  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 31  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 14 30  1  1  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (1)
10

>  <Formula> (1)
C24H40O3

>  <MolWeight> (1)
376.5726

>  <Item Name> (1)
Lithocholic acid

>  <Catalog Number> (1)
S4003

>  <Synonyms> (1)
N/A

>  <Target> (1)
Others

>  <URL> (1)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (1)
434-13-9

$$$$
