KEGG   COMPOUND: C14478Help
Entry
C14478                      Compound                               

Name
21-Deoxycortisone;
17alpha-Hydroxypregn-4-ene-3,11,20-trione
Formula
C21H28O4
Exact mass
344.1988
Mol weight
344.4446
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 1882-82-2
PubChem: 17395478
ChEBI: 34308
NIKKAJI: J199.703C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1x C    20.5803  -21.1840
            2   C5x C    20.5803  -22.5475
            3   C2x C    21.7609  -23.2291
            4   C2y C    22.9416  -22.5475
            5   C1z C    22.9416  -21.1840
            6   C1x C    21.7609  -20.5024
            7   C1x C    24.1223  -23.2291
            8   C1x C    25.3030  -22.5475
            9   C1y C    25.3030  -21.1840
            10  C1y C    24.1223  -20.5024
            11  C1y C    26.4837  -20.5024
            12  C1z C    26.4837  -19.1390
            13  C1x C    25.3030  -18.4574
            14  C5x C    24.1223  -19.1390
            15  C1x C    28.8449  -20.5024
            16  C1x C    28.8449  -19.1390
            17  C1z C    27.6642  -18.4574
            18  C1a C    26.4407  -17.7758
            19  C5a C    27.6695  -17.0941
            20  C1a C    22.9386  -19.7814
            21  C1a C    28.8559  -16.4152
            22  O5x O    19.3694  -23.2465
            23  O5x O    22.9381  -18.4559
            24  O5a O    26.4282  -16.3712
            25  O1a O    28.9682  -18.1226
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   14  23 2
            27   19  24 2
            28   17  25 1 #Down

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