KEGG   COMPOUND: C14923
Entry
C14923                      Compound                               
Name
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione
Formula
C22H31ClO3
Exact mass
378.1962
Mol weight
378.9327
Structure
Other DBs
PubChem: 17395921
ChEBI: 79448
NIKKAJI: J2.790.722I
LinkDB
KCF data

ATOM        26
            1   C1y C    22.3470  -17.5806
            2   C1y C    21.2283  -16.9454
            3   C1y C    23.4543  -16.9337
            4   C1x C    22.3237  -18.8509
            5   C1z C    20.1328  -17.5923
            6   C1x C    21.2224  -15.6634
            7   C1z C    23.4543  -15.6518
            8   C1x C    25.6804  -16.9396
            9   C1x C    21.2400  -19.4919
            10  C2y C    20.1328  -18.8626
            11  C1x C    19.0315  -16.9630
            12  C1a C    20.1152  -16.1180
            13  C1z C    22.3354  -15.0167
            14  C1y C    24.5789  -15.0108
            15  C1x C    25.6861  -15.6577
            16  C2x C    19.0315  -19.5036
            17  C1x C    17.9476  -17.5923
            18  C5a C    24.5789  -12.7721
            19  C5x C    17.9476  -18.8626
            20  C1a C    23.4543  -14.2518
            21  O5x O    16.7254  -19.5600
            22  C1b C    22.3354  -13.6167
            23  C1a C    25.7983  -12.0683
            24  O5a O    23.3459  -12.0606
            25  X   Cl   21.1336  -12.9229
            26  O1a O    21.1230  -14.3167
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 2
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19    7  13 1
            20    9  10 1
            21   14  15 1
            22   17  19 1
            23    7  20 1 #Up
            24   19  21 2
            25   13  22 1 #Down
            26   18  23 1
            27   18  24 2
            28   22  25 1
            29   13  26 1 #Up

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