KEGG   COMPOUND: C14922
Entry
C14922                      Compound                               
Name
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
Formula
C23H32O4S
Exact mass
404.2021
Mol weight
404.5628
Structure
Other DBs
PubChem: 17395920
ChEBI: 79447
NIKKAJI: J2.790.719I
LinkDB
KCF data

ATOM        28
            1   C1y C    22.3470  -17.5806
            2   C1y C    21.2283  -16.9454
            3   C1y C    23.4543  -16.9337
            4   C1y 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   C1y 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  C1x 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  -13.7521
            19  C5x C    17.9476  -18.8626
            20  C1a C    25.6687  -13.1345
            21  O5x O    16.7254  -19.5600
            22  C1a C    23.4543  -14.2518
            23  O5a O    23.3486  -13.0357
            24  S2a S    23.5289  -19.5529
            25  C5a C    23.5234  -20.9300
            26  C1a C    22.3056  -21.6266
            27  O5a O    24.7305  -21.6334
            28  O1a O    26.6718  -17.9381
BOND        31
            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   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24   19  21 2
            25    7  22 1 #Up
            26   18  23 2
            27    4  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31    8  28 1 #Up

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