KEGG   COMPOUND: C14555
Entry
C14555                      Compound                               
Name
11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one;
11alpha-Hydroxy-17alpha-methyltestosterone
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Other DBs
CAS: 1807-02-9
PubChem: 17395555
ChEBI: 34138
NIKKAJI: J199.630D
LinkDB
KCF data

ATOM        23
            1   C1x C    18.0456  -19.8365
            2   C5x C    18.0456  -21.1987
            3   C2x C    19.2251  -21.8797
            4   C2y C    20.4048  -21.1987
            5   C1z C    20.4048  -19.8365
            6   C1x C    19.2251  -19.1555
            7   C1x C    21.5844  -21.8797
            8   C1x C    22.7640  -21.1987
            9   C1y C    22.7640  -19.8365
            10  C1y C    21.5844  -19.1555
            11  C1y C    23.9437  -19.1555
            12  C1z C    23.9437  -17.7934
            13  C1x C    22.7640  -17.1124
            14  C1y C    21.5844  -17.7934
            15  C1x C    26.3029  -19.1555
            16  C1x C    26.3029  -17.7934
            17  C1z C    25.1233  -17.1124
            18  C1a C    23.9708  -16.4314
            19  O1a O    25.1285  -15.7503
            20  O5x O    16.8243  -21.9040
            21  C1a C    20.4018  -18.4351
            22  O1a O    20.3479  -17.0794
            23  C1a C    26.4600  -16.7300
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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   12  18 1 #Up
            22   17  19 1 #Up
            23    2  20 2
            24    5  21 1 #Up
            25   14  22 1 #Down
            26   17  23 1 #Down

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