KEGG   COMPOUND: C14487
Entry
C14487                      Compound                               
Name
Ethisterone;
17alpha-Ethinyl testosterone;
Progestolets;
17alpha-Ethynyl-17beta-hydroxyandrost-4-en-3-one
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Remark
ATC code: G03DC04
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DC Estren derivatives
     G03DC04 Ethisterone
      C14487  Ethisterone
Other DBs
CAS: 434-03-7
PubChem: 17395487
ChEBI: 34749
NIKKAJI: J5.729K
LinkDB
KCF data

ATOM        23
            1   C1z C    29.7223  -18.5315
            2   C1z C    30.9732  -17.8566
            3   C1y C    29.7808  -19.8985
            4   C1x C    28.6229  -17.8507
            5   C1a C    29.7162  -17.1702
            6   C1x C    32.1542  -18.5431
            7   O1a O    30.9618  -16.2797
            8   C3b C    32.1484  -17.1702
            9   C1y C    28.5997  -20.5734
            10  C1x C    32.1426  -19.9102
            11  C1x C    27.4363  -18.5198
            12  C3a C    33.3237  -16.4837
            13  C1y C    27.4246  -19.8812
            14  C1x C    28.5997  -21.9406
            15  C1z C    26.2436  -20.5559
            16  C1x C    27.4130  -22.6155
            17  C2y C    26.2379  -21.9290
            18  C1x C    25.0684  -19.8753
            19  C2x C    25.0684  -22.6095
            20  C1x C    23.8874  -20.5559
            21  C5x C    23.8874  -21.9290
            22  O5x O    22.7006  -22.6039
            23  C1a C    26.2317  -19.1946
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    8  12 3
            12    9  13 1
            13    9  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 1
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   21  22 2
            22    6  10 1
            23   11  13 1
            24   16  17 1
            25   20  21 1
            26   15  23 1 #Up

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