KEGG   COMPOUND: C15361Help
Entry
C15361                      Compound                               

Name
Descinolone;
9-Fluoro-11beta,16alpha,17-trihydroxypregna-1,4-diene-3,20-dione
Formula
C21H27FO5
Exact mass
378.1843
Mol weight
378.4345
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 17396358
ChEBI: 79863
ChEMBL: CHEMBL3250066
NIKKAJI: J6.779B
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    26.6870  -20.7306
            2   C1z C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C1y C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C2x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C2x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  X   F    25.5683  -21.3483
            22  C1a C    27.7943  -17.4018
            23  O5x O    21.0654  -22.7100
            24  O5a O    27.6886  -16.1857
            25  O1a O    24.3453  -18.1167
            26  O1a O    31.4452  -18.8175
            27  O1a O    30.1313  -17.4608
BOND        30
            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 2
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    2  21 1 #Down
            25    7  22 1 #Up
            26   19  23 2
            27   18  24 2
            28    6  25 1 #Up
            29   15  26 1 #Down
            30   14  27 1 #Down

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