KEGG   COMPOUND: C15228
Entry
C15228                      Compound                               
Name
beta-Estradiol 17-acetate;
Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate;
17beta-Acetylestradiol
Formula
C20H26O3
Exact mass
314.1882
Mol weight
314.4186
Structure
Other DBs
PubChem: 17396225
ChEBI: 79735
NIKKAJI: J396.239C
LinkDB
KCF data

ATOM        23
            1   C1y C    21.8632  -20.8533
            2   C1y C    20.6905  -21.5268
            3   C1z C    21.8691  -19.5065
            4   C1x C    24.1909  -20.8826
            5   C1y C    19.5236  -20.8360
            6   C1x C    20.6905  -22.8796
            7   C1x C    20.7137  -18.8212
            8   C1y C    23.0478  -18.8445
            9   C1a C    21.8632  -18.1536
            10  C1x C    24.2090  -19.5353
            11  C8y C    18.3450  -21.5153
            12  C1x C    19.5354  -19.4888
            13  C1x C    19.5118  -23.5474
            14  C8y C    18.3392  -22.8680
            15  C8x C    17.1721  -20.8360
            16  C8x C    17.1721  -23.5415
            17  C8x C    15.9357  -21.5153
            18  C8y C    15.9295  -22.8680
            19  O1a O    14.7384  -23.5740
            20  O7a O    22.9956  -17.4305
            21  C7a C    24.2060  -16.6705
            22  C1a C    25.4500  -17.3286
            23  O6a O    24.2238  -15.2616
BOND        26
            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   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23    8  20 1 #Up
            24   20  21 1
            25   21  22 1
            26   21  23 2

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