KEGG   COMPOUND: C14242Help
Entry
C14242                      Compound                               

Name
Mytatrienediol;
17-alpha-Methylestriol 3-methyl ether;
16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol
Formula
C20H28O3
Exact mass
316.2038
Mol weight
316.4345
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 5108-94-1
PubChem: 7847052
ChEBI: 34859
NIKKAJI: J79.385J
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1y C    31.1018  -17.3582
            2   C1y C    29.9589  -18.0146
            3   C1z C    31.1074  -16.0457
            4   C1x C    33.4377  -17.3859
            5   C1y C    28.8219  -17.3412
            6   C1x C    29.9589  -19.3325
            7   C1x C    29.9817  -15.3780
            8   C1y C    32.2559  -15.4005
            9   C1a C    31.1018  -14.5919
            10  C1z C    33.4571  -16.0738
            11  C8y C    27.6732  -18.0032
            12  C1x C    28.8335  -16.0284
            13  C1x C    28.8104  -19.9833
            14  O1a O    32.3203  -13.8060
            15  C8y C    27.6678  -19.3212
            16  C8x C    26.5305  -17.3412
            17  C8x C    26.5305  -19.9776
            18  C8x C    25.3260  -18.0032
            19  C8y C    25.3180  -19.3212
            20  O1a O    34.1821  -14.8510
            21  C1a C    34.8125  -16.3920
            22  O2a O    24.1034  -20.0847
            23  C1a C    22.8668  -19.4313
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    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
            23   10  20 1 #Up
            24   10  21 1 #Down
            25   19  22 1
            26   22  23 1

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