KEGG   COMPOUND: C14475Help
Entry
C14475                      Compound                               

Name
Bolasterone;
7alpha,17alpha-Dimethyltestosterone;
17beta-Hydroxy-7alpha,17-dimethylandrost-4-en-3-one;
U19763
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol fileKCF fileDB search
Remark
Same as: D03144
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C4 (AR)
     D03144  Bolasterone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1605-89-6
PubChem: 17395475
ChEBI: 34583
ChEMBL: CHEMBL259548
LIPIDMAPS: LMST02020017
NIKKAJI: J7.528K
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    25.3131  -17.9359
            2   C5x C    25.3131  -19.2973
            3   C2x C    26.4921  -19.9779
            4   C2y C    27.6710  -19.2973
            5   C1z C    27.6710  -17.9359
            6   C1x C    26.4921  -17.2553
            7   C1x C    28.8499  -19.9779
            8   C1y C    30.0288  -19.2973
            9   C1y C    30.0288  -17.9359
            10  C1y C    28.8499  -17.2553
            11  C1y C    31.2079  -17.2553
            12  C1z C    31.2079  -15.8940
            13  C1x C    30.0288  -15.2134
            14  C1x C    28.8499  -15.8940
            15  C1x C    33.5656  -17.2553
            16  C1x C    33.5656  -15.8940
            17  C1z C    32.3867  -15.2134
            18  C1a C    31.2349  -14.5328
            19  O1a O    32.3919  -13.8521
            20  C1a C    31.2450  -19.9995
            21  O5x O    24.0926  -20.0023
            22  C1a C    27.6680  -16.5354
            23  C1a C    33.6932  -14.8540
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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    8  20 1 #Down
            24    2  21 2
            25    5  22 1 #Up
            26   17  23 1 #Down

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