KEGG   COMPOUND: C14661
Entry
C14661                      Compound                               
Name
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol;
17alpha-Ethyl-17beta-estradiol 3-methyl ether
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Other DBs
CAS: 17550-03-7
PubChem: 17395660
ChEBI: 34340
NIKKAJI: J111.510C
LinkDB
KCF data

ATOM        23
            1   C8x C    21.0487  -21.3705
            2   C8y C    21.0487  -22.7321
            3   C8x C    22.2278  -23.4128
            4   C8y C    23.4068  -22.7321
            5   C8y C    23.4068  -21.3705
            6   C8x C    22.2278  -20.6898
            7   C1x C    24.5860  -23.4128
            8   C1x C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1z C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  O2a O    19.8448  -23.4274
            20  C1a C    18.6166  -22.7180
            21  O1a O    28.1227  -17.2201
            22  C1b C    29.3300  -17.9200
            23  C1a C    30.5555  -18.5969
BOND        26
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22    2  19 1
            23   19  20 1
            24   17  21 1 #Up
            25   17  22 1 #Down
            26   22  23 1

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