KEGG   COMPOUND: C14990
Entry
C14990                      Compound                               
Name
Cyclic-3,20-bis(1,2-ethanediyl acetal)-11alpha-(acetyloxy)-5alpha,6alpha-epoxypregnane-3,20-dione
Formula
C27H40O7
Exact mass
476.2774
Mol weight
476.6023
Structure
Other DBs
PubChem: 17395987
ChEBI: 79513
NIKKAJI: J2.791.475F
KCF data

ATOM        34
            1   C1y C    22.3300  -17.5700
            2   C1y C    21.2100  -16.9400
            3   C1y C    23.4500  -16.9400
            4   C1x C    22.3300  -18.8300
            5   C1z C    20.1600  -17.5700
            6   C1y C    21.2100  -15.6800
            7   C1z C    23.4500  -15.6800
            8   C1x C    25.6900  -16.9400
            9   C1y C    21.2100  -19.4600
            10  C1z C    20.1600  -18.8300
            11  C1x C    19.0400  -16.9400
            12  C1a C    20.0900  -16.1000
            13  C1x C    22.3300  -15.0500
            14  C1y C    24.5700  -14.9800
            15  C1x C    25.6900  -15.6800
            16  C1x C    19.0400  -19.5300
            17  C1x C    17.9200  -17.5700
            18  C1z C    24.5700  -13.7200
            19  C1z C    17.9200  -18.8300
            20  C1a C    26.0400  -13.7200
            21  C1a C    23.4500  -14.2800
            22  O7a O    20.0200  -14.9800
            23  C7a C    20.0200  -13.5800
            24  O6a O    21.2100  -12.8800
            25  C1a C    18.8300  -12.8800
            26  O2x O    20.1600  -20.2300
            27  C1x C    15.6800  -18.8300
            28  C1x C    16.1000  -20.1600
            29  O2x O    17.5000  -20.1600
            30  O2x O    16.8000  -17.9900
            31  C1x C    23.2400  -11.9000
            32  O2x O    23.2400  -13.3000
            33  O2x O    25.4100  -12.6000
            34  C1x C    24.5700  -11.4800
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15   10  16 1
            16   11  17 1
            17   14  18 1 #Up
            18   16  19 1
            19   18  20 1
            20    7  13 1
            21    9  10 1
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25    6  22 1 #Down
            26   22  23 1
            27   23  24 2
            28   23  25 1
            29   10  26 1 #Down
            30    9  26 1 #Down
            31   27  28 1
            32   28  29 1
            33   29  19 1
            34   19  30 1
            35   27  30 1
            36   31  32 1
            37   32  18 1
            38   18  33 1
            39   33  34 1
            40   31  34 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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