KEGG   COMPOUND: C15405
Entry
C15405                      Compound                               
Name
17beta-Carbomethoxyandrost-5-en-3beta-ol;
3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester
Formula
C21H32O3
Exact mass
332.2351
Mol weight
332.477
Structure
Other DBs
PubChem: 17396402
ChEBI: 79906
NIKKAJI: J1.243.718H
LinkDB
KCF data

ATOM        24
            1   C1y C    27.0420  -20.6888
            2   C1y C    25.8765  -20.0209
            3   C1y C    28.2140  -20.0087
            4   C1x C    27.0236  -22.0852
            5   C1z C    24.7168  -20.7010
            6   C1x C    25.8643  -18.6669
            7   C1z C    28.2199  -18.6548
            8   C1x C    30.5575  -20.0147
            9   C2x C    25.8825  -22.7045
            10  C2y C    24.7168  -22.0366
            11  C1x C    23.5753  -20.0452
            12  C1a C    24.6986  -19.0736
            13  C1x C    27.0360  -17.9869
            14  C1y C    29.3917  -17.9809
            15  C1a C    28.2198  -17.0430
            16  C1x C    30.5575  -18.6669
            17  C1x C    23.5570  -22.7106
            18  C1x C    22.4158  -20.7010
            19  C1y C    22.4158  -22.0366
            20  O1a O    21.1809  -22.7415
            21  C7a C    29.3987  -16.5868
            22  O7a O    30.6109  -15.8951
            23  O6a O    28.1866  -15.8789
            24  C1a C    31.7958  -16.5872
BOND        27
            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    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 2
            21   14  16 1
            22   18  19 1
            23   19  20 1 #Up
            24   14  21 1 #Up
            25   21  22 1
            26   21  23 2
            27   22  24 1

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