KEGG   COMPOUND: C14646Help
Entry
C14646                      Compound                               

Name
Pregna-4,11-diene-3,20-dione;
11-Dehydroprogesterone
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 2625-60-7
PubChem: 17395646
ChEBI: 34929
ChEMBL: CHEMBL44282
NIKKAJI: J83.642G
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    21.0980  -20.9999
            2   C5x C    21.0980  -22.3602
            3   C2x C    22.2759  -23.0402
            4   C2y C    23.4538  -22.3602
            5   C1z C    23.4538  -20.9999
            6   C1x C    22.2759  -20.3199
            7   C1x C    24.6318  -23.0402
            8   C1x C    25.8097  -22.3602
            9   C1y C    25.8097  -20.9999
            10  C1y C    24.6318  -20.3199
            11  C1y C    26.9877  -20.3199
            12  C1z C    26.9877  -18.9598
            13  C2x C    25.8097  -18.2798
            14  C2x C    24.6318  -18.9598
            15  C1x C    29.3434  -20.3199
            16  C1x C    29.3434  -18.9598
            17  C1y C    28.1655  -18.2798
            18  C1a C    27.0147  -17.5997
            19  C5a C    28.1707  -16.9196
            20  C1a C    23.4508  -19.6007
            21  O5x O    19.8783  -23.0647
            22  C1a C    29.3539  -16.2426
            23  O5a O    26.9475  -16.2066
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 2
            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    2  21 2
            25   19  22 1
            26   19  23 2

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