Ethanesulfonic acid, 2-[[(3α,5β,6α)-3,6-dihydroxy-24-oxocholan-24-yl]amino]-,...
C26H45NO6S.Na
38411-85-7 Copyright (C) 2025 ACS
 40 42  0  0  0  0  0  0  0  0999 V2000
    3.6025    6.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631    9.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8005    8.9459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8005   10.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341    8.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341   11.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1341   12.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4678   13.5659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8005   13.5659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4678   15.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8016   15.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8016   17.4159    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
   16.3416   17.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2616   17.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8016   18.9559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.3900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3347    6.1600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0021    6.1600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6685    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3347    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4668    5.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.0800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6674    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    8.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4668    8.1759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3719    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    3.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5517    4.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2458    7.2489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541    4.7223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404    9.5828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1708    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
 22  1  1  1  0  0  0
 24  2  1  1  0  0  0
 26  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  4 30  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 34 17  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 35  1  1  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 36  1  6  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  6  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 27 32  1  0  0  0  0
 27 38  1  1  0  0  0
 28 33  1  0  0  0  0
 30 31  1  0  0  0  0
 30 39  1  6  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <cas.rn>
38411-85-7

> <cas.index.name>
Ethanesulfonic acid, 2-[[(3α,5β,6α)-3,6-dihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1)

> <molecular.formula>
C26H45NO6S.Na

> <molecular.weight>
522.70

$$$$
