KEGG   COMPOUND: C14669
Entry
C14669                      Compound                               
Name
12alpha-Bromo-11beta-hydroxypregn-4-ene-3,20-dione;
11beta-Hydroxy-12alpha-bromoprogesterone
Formula
C21H29BrO3
Exact mass
408.13
Mol weight
409.3572
Structure
Other DBs
CAS: 1242-47-3
PubChem: 17395668
ChEBI: 34152
NIKKAJI: J67.038C
LinkDB
KCF data

ATOM        25
            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  C1y C    25.7650  -18.6477
            14  C1y 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    27.3912  -17.8970
            19  C5a C    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  C1a C    29.3127  -16.6085
            22  O5x O    19.8448  -23.4274
            23  O5a O    26.9290  -16.5875
            24  X   Br   24.6451  -17.5000
            25  O1a O    23.3579  -18.6194
BOND        28
            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   19  23 2
            27   13  24 1 #Down
            28   14  25 1 #Up

» Japanese version

DBGET integrated database retrieval system