KEGG   COMPOUND: C14663Help
Entry
C14663                      Compound                               

Name
Testosterone isocaproate;
17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate
Formula
C25H38O3
Exact mass
386.2821
Mol weight
386.5674
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 15262-86-9
PubChem: 17395662
ChEBI: 35001
ChEMBL: CHEMBL1872906 CHEMBL3189011
NIKKAJI: J218.390K
KCF data Show

ATOM        28
            1   C1x C    21.0487  -21.3705
            2   C5x C    21.0487  -22.7321
            3   C2x C    22.2278  -23.4128
            4   C2y C    23.4068  -22.7321
            5   C1z C    23.4068  -21.3705
            6   C1x 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  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1y C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  O7a O    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  C7a C    29.3127  -16.6085
            22  O5x O    19.8448  -23.4274
            23  C1b C    30.5270  -17.3160
            24  O6a O    29.3180  -15.1901
            25  C1b C    31.7480  -16.6177
            26  C1c C    32.9687  -17.3295
            27  C1a C    34.1719  -16.6421
            28  C1a C    32.9624  -18.7600
BOND        31
            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    5  20 1 #Up
            24   19  21 1
            25    2  22 2
            26   21  23 1
            27   21  24 2
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1

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