KEGG   COMPOUND: C14642Help
Entry
C14642                      Compound                               

Name
Melengestrol acetate;
17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate;
17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione
Formula
C25H32O4
Exact mass
396.2301
Mol weight
396.5192
Structure
Mol fileKCF fileDB search
Remark
Same as: D04900
Other DBs
CAS: 2919-66-6
PubChem: 17395642
ChEBI: 34831
ChEMBL: CHEMBL1328968
NIKKAJI: J7.935I
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    20.6833  -20.0040
            2   C5x C    20.6833  -21.3284
            3   C2x C    21.8301  -21.9905
            4   C2y C    22.9769  -21.3284
            5   C1z C    22.9769  -20.0040
            6   C1x C    21.8301  -19.3420
            7   C2y C    24.1238  -21.9905
            8   C2x C    25.2706  -21.3284
            9   C1y C    25.2706  -20.0040
            10  C1y C    24.1238  -19.3420
            11  C1y C    26.4175  -19.3420
            12  C1z C    26.4175  -18.0178
            13  C1x C    25.2706  -17.3558
            14  C1x C    24.1238  -18.0178
            15  C1x C    28.7110  -19.3420
            16  C2y C    28.7110  -18.0178
            17  C1z C    27.5641  -17.3558
            18  C1a C    26.4438  -16.6936
            19  C1a C    22.9739  -18.6417
            20  C1a C    24.1238  -23.3436
            21  O5x O    19.4958  -22.0143
            22  C5a C    27.5642  -16.0126
            23  O5a O    28.7499  -15.3280
            24  C1a C    26.4140  -15.3483
            25  C2a C    29.8883  -17.3378
            26  O7a O    29.8785  -15.9397
            27  C7a C    31.2272  -15.9397
            28  O6a O    31.9043  -17.1126
            29  C1a C    31.8997  -14.7748
BOND        32
            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 2
            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    5  19 1 #Up
            23    7  20 1
            24    2  21 2
            25   17  22 1 #Up
            26   22  23 2
            27   22  24 1
            28   16  25 2
            29   17  26 1 #Down
            30   26  27 1
            31   27  28 2
            32   27  29 1

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