KEGG   COMPOUND: C06842Help
Entry
C06842                      Compound                               

Name
Beclomethasone
Formula
C22H29ClO5
Exact mass
408.1704
Mol weight
408.9157
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane and derivatives
    C06842  Beclomethasone
BRITE hierarchy
Other DBs
CAS: 
4419-39-0
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1z C    27.7498  -18.0772
            2   C1y C    28.8517  -18.7126
            3   C1z C    26.6478  -18.7126
            4   C1y C    27.7498  -16.8178
            5   X   Cl   27.7206  -19.3539
            6   C1y C    29.9361  -18.0829
            7   C1x C    28.8400  -19.9777
            8   C2y C    26.6478  -19.9777
            9   C2x C    25.5517  -18.0772
            10  C1a C    26.6362  -17.4417
            11  C1x C    28.8517  -16.1824
            12  O1a O    26.6478  -16.1824
            13  C1z C    29.9418  -16.8178
            14  C1x C    32.1340  -18.0829
            15  C1x C    27.7498  -20.6133
            16  C2x C    25.5517  -20.6133
            17  C2x C    24.4558  -18.7126
            18  C1z C    31.0379  -16.1882
            19  C1a C    29.9709  -15.2612
            20  C1y C    32.1397  -16.8178
            21  C5x C    24.4558  -19.9777
            22  C5a C    31.0496  -14.2993
            23  O1a O    32.2097  -15.2554
            24  C1a C    33.2358  -16.1941
            25  O5x O    23.3597  -20.6133
            26  O5a O    29.4289  -13.3373
            27  C1b C    32.2997  -13.5928
            28  O1a O    33.4780  -14.2876
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Up
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 2
            17   13  18 1
            18   13  19 1 #Up
            19   14  20 1
            20   16  21 1
            21   18  22 1 #Up
            22   18  23 1 #Down
            23   20  24 1 #Up
            24   21  25 2
            25   22  26 2
            26    8  15 1
            27   11  13 1
            28   17  21 1
            29   18  20 1
            30   22  27 1
            31   27  28 1

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