KEGG   COMPOUND: C14593Help
Entry
C14593                      Compound                               

Name
Epimestrol;
3-Methoxy-17-epiestriol;
3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol
Formula
C19H26O3
Exact mass
302.1882
Mol weight
302.4079
Structure
Mol fileKCF fileDB search
Remark
Same as: D04021
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03G GONADOTROPINS AND OTHER OVULATION STIMULANTS
    G03GB Ovulation stimulants, synthetic
     G03GB03 Epimestrol
      D04021  Epimestrol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 7004-98-0
PubChem: 17395593
ChEBI: 34738
ChEMBL: CHEMBL2106236
NIKKAJI: J8.873K
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    19.9039  -18.8261
            2   C8y C    19.9039  -20.1861
            3   C8x C    21.0816  -20.8660
            4   C8y C    22.2593  -20.1861
            5   C8y C    22.2593  -18.8261
            6   C8x C    21.0816  -18.1462
            7   C1x C    23.4370  -20.8660
            8   C1x C    24.6147  -20.1861
            9   C1y C    24.6147  -18.8261
            10  C1y C    23.4370  -18.1462
            11  C1y C    25.7925  -18.1462
            12  C1z C    25.7925  -16.7863
            13  C1x C    24.6147  -16.1064
            14  C1x C    23.4370  -16.7863
            15  C1x C    28.1478  -18.1462
            16  C1y C    28.1478  -16.7863
            17  C1y C    26.9701  -16.1064
            18  C1a C    25.7495  -15.4265
            19  O1a O    26.9753  -14.7465
            20  O1a O    29.3460  -16.0946
            21  O2a O    18.6846  -20.8903
            22  C1a C    17.4596  -20.1836
BOND        25
            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 #Down
            23   16  20 1 #Down
            24    2  21 1
            25   21  22 1

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