KEGG   COMPOUND: C14757Help
Entry
C14757                      Compound                               

Name
Moxestrol;
11beta-Methoxy-17alpha-ethinylestradiol;
17alpha-Ethinyl-11beta-methoxy-1,3,5(10)-estratrien-3,17-diol
Formula
C21H26O3
Exact mass
326.1882
Mol weight
326.4293
Structure
Mol fileKCF fileDB search
Remark
ATC code: G03CB04
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03C ESTROGENS
    G03CB Synthetic estrogens, plain
     G03CB04 Moxestrol
      C14757  Moxestrol
BRITE hierarchy
Other DBs
CAS: 34816-55-2
PubChem: 17395755
ChEBI: 34857
ChEMBL: CHEMBL1628161
NIKKAJI: J17.707E
LinkDB All DBs
KCF data Show

ATOM        24
            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  C1y 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  O1a O    28.1283  -17.2862
            20  O1a O    19.8448  -23.4274
            21  O2a O    23.3579  -18.6194
            22  C1a C    22.1619  -19.3100
            23  C3b C    29.4700  -18.2700
            24  C3a C    30.7300  -17.9200
BOND        27
            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   17  19 1 #Up
            23    2  20 1
            24   14  21 1 #Up
            25   21  22 1
            26   17  23 1 #Down
            27   23  24 3

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