KEGG   COMPOUND: C14239
Entry
C14239                      Compound                               
Name
3-Deoxyestradiol;
3-Deoxy-17beta-estradiol
Formula
C18H24O
Exact mass
256.1827
Mol weight
256.3826
Structure
Other DBs
CAS: 2529-64-8
PubChem: 7847049
ChEBI: 34331
NIKKAJI: J604.134E
LinkDB
KCF data

ATOM        19
            1   C1y C    30.5969  -17.3820
            2   C1y C    29.4612  -18.0343
            3   C1z C    30.6023  -16.0777
            4   C1x C    32.9881  -17.3400
            5   C1y C    28.3311  -17.3651
            6   C1x C    29.4612  -19.3440
            7   C1x C    29.4837  -15.4141
            8   C1y C    31.7437  -15.4366
            9   C1a C    30.5969  -14.6330
            10  C1x C    32.9374  -16.1057
            11  C8y C    27.1897  -18.0230
            12  C1x C    28.3426  -16.0606
            13  C1x C    28.3198  -19.9907
            14  O1a O    31.7382  -13.8520
            15  C8y C    27.1843  -19.3328
            16  C8x C    26.0541  -17.3651
            17  C8x C    26.0541  -19.9850
            18  C8x C    24.7871  -18.0230
            19  C8x C    24.7792  -19.3328
BOND        22
            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    7  12 1
            20    8  10 1
            21   13  15 1
            22   18  19 1

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