KEGG   COMPOUND: C14955
Entry
C14955                      Compound                               
Name
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Formula
C22H28O3S
Exact mass
372.1759
Mol weight
372.5209
Structure
Other DBs
PubChem: 17395953
ChEBI: 79479
NIKKAJI: J2.790.785G
LinkDB
KCF data

ATOM        26
            1   C1y C    25.1052  -17.6251
            2   C1y C    23.9279  -18.3012
            3   C1z C    25.1110  -16.2730
            4   C1x C    27.5119  -17.6542
            5   C1y C    22.7564  -17.6075
            6   C1x C    23.9279  -19.6590
            7   C1x C    23.9512  -15.5852
            8   C1y C    26.2940  -15.6086
            9   C1a C    25.1052  -14.9150
            10  C1x C    27.4598  -16.3020
            11  C8y C    21.5734  -18.2895
            12  C1x C    22.7681  -16.2554
            13  C1x C    22.7447  -20.3293
            14  S2a S    26.2883  -14.2448
            15  C8y C    21.5676  -19.6474
            16  C8x C    20.3961  -17.6075
            17  C8x C    20.3961  -20.3234
            18  C8x C    19.1549  -18.2895
            19  C8y C    19.1488  -19.6474
            20  O7a O    18.0357  -20.3234
            21  C5a C    27.5092  -13.5331
            22  C1a C    28.7080  -14.2187
            23  O5a O    27.5034  -12.1430
            24  C7a C    16.7973  -19.6010
            25  C1a C    15.5970  -20.2870
            26  O6a O    16.8036  -18.2126
BOND        29
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    8  14 1 #Up
            14   11  15 2
            15   11  16 1
            16   15  17 1
            17   16  18 2
            18   17  19 2
            19   19  20 1
            20    7  12 1
            21    8  10 1
            22   13  15 1
            23   18  19 1
            24   14  21 1
            25   21  22 1
            26   21  23 2
            27   20  24 1
            28   24  25 1
            29   24  26 2

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