KEGG   COMPOUND: C15280Help
Entry
C15280                      Compound                               

Name
16alpha,17-Isopropylidenedioxy-6alpha-methylprogesterone;
16alpha,17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione cyclic acetal with acetone
Formula
C25H36O4
Exact mass
400.2614
Mol weight
400.5509
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
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KCF data Show

ATOM        29
            1   C1x C    25.2216  -21.7582
            2   C5x C    25.2216  -23.1130
            3   C2x C    26.3949  -23.7902
            4   C2y C    27.5679  -23.1130
            5   C1z C    27.5679  -21.7582
            6   C1x C    26.3949  -21.0808
            7   C1y C    28.7413  -23.7902
            8   C1x C    29.9144  -23.1130
            9   C1y C    29.9144  -21.7582
            10  C1y C    28.7413  -21.0808
            11  C1y C    31.0877  -21.0808
            12  C1z C    31.0877  -19.7263
            13  C1x C    29.9144  -19.0490
            14  C1x C    28.7413  -19.7263
            15  C1x C    33.4340  -21.0808
            16  C1y C    33.4340  -19.7263
            17  C1z C    32.2609  -19.0490
            18  C1a C    31.1146  -18.3716
            19  C1a C    27.5649  -20.3645
            20  O5x O    24.0237  -23.8048
            21  C5a C    32.2605  -17.6284
            22  O5a O    31.0667  -16.9396
            23  C1a C    33.4796  -16.9242
            24  O2x O    33.4617  -18.3249
            25  O2x O    34.8546  -19.7179
            26  C1z C    34.8546  -18.3249
            27  C1a C    36.1416  -18.8579
            28  C1a C    35.5546  -17.1125
            29  C1a C    28.7412  -25.1997
BOND        33
            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    5  19 1 #Up
            23    2  20 2
            24   17  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   16  25 1 #Down
            29   24  26 1
            30   25  26 1
            31   26  27 1
            32   26  28 1
            33    7  29 1 #Down

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