KEGG   COMPOUND: C14636
Entry
C14636                      Compound                               
Name
9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate;
Isoflupredone acetate;
U-6013
Formula
C23H29FO6
Exact mass
420.1948
Mol weight
420.4712
Structure
Remark
Same as: D04627
Other DBs
CAS: 338-98-7
PubChem: 17395636
ChEBI: 34517
NIKKAJI: J5.683I
KCF data

ATOM        30
            1   C2x C    17.7969  -18.8186
            2   C5x C    17.7969  -20.1827
            3   C2x C    18.9781  -20.8646
            4   C2y C    20.1594  -20.1827
            5   C1z C    20.1594  -18.8186
            6   C2x C    18.9781  -18.1367
            7   C1x C    21.3406  -20.8646
            8   C1x C    22.5218  -20.1827
            9   C1y C    22.5218  -18.8186
            10  C1z C    21.3406  -18.1367
            11  C1y C    23.7031  -18.1367
            12  C1z C    23.7031  -16.7728
            13  C1x C    22.5218  -16.0908
            14  C1y C    21.3406  -16.7728
            15  C1x C    26.0654  -18.1367
            16  C1x C    26.0654  -16.7728
            17  C1z C    24.8842  -16.0908
            18  X   F    21.3432  -19.5006
            19  C1a C    23.7301  -15.4089
            20  C5a C    24.8894  -14.5169
            21  C1a C    20.1564  -17.4155
            22  C1b C    26.0765  -13.8377
            23  O1a O    20.1363  -16.0775
            24  O7a O    27.2712  -14.5338
            25  O1a O    26.1934  -15.7307
            26  O5x O    16.5739  -20.8891
            27  O5a O    23.6638  -13.8025
            28  C7a C    28.4693  -13.8483
            29  C1a C    29.6550  -14.5391
            30  O6a O    28.4751  -12.4324
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   10  18 1 #Down
            22   12  19 1 #Up
            23   17  20 1 #Up
            24    5  21 1 #Up
            25   20  22 1
            26   14  23 1 #Up
            27   22  24 1
            28   17  25 1 #Down
            29    2  26 2
            30   20  27 2
            31   24  28 1
            32   28  29 1
            33   28  30 2

» Japanese version

  All links  
Drug (1)   
   KEGG DRUG (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (4)   

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