KEGG   COMPOUND: C15429
Entry
C15429                      Compound                               
Name
17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-(hydrogensuccinate);
21-(3-Carboxy-1-oxopropoxy)-17-hydroxypregn-4-ene-3,11,20-trione;
Cortisone 21-succinate
Formula
C25H32O8
Exact mass
460.2097
Mol weight
460.5168
Structure
Other DBs
PubChem: 17396426
ChEBI: 79929
NIKKAJI: J2.794.455H
LinkDB
KCF data

ATOM        33
            1   C1y C    26.6870  -20.7306
            2   C1y C    25.5683  -20.0954
            3   C1y C    27.7943  -20.0837
            4   C1x C    26.6637  -22.0009
            5   C1z C    24.4728  -20.7423
            6   C5x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C1x C    25.5800  -22.6419
            10  C2y C    24.4728  -22.0126
            11  C1x C    23.3715  -20.1130
            12  C1a C    24.4552  -19.2680
            13  C1x C    26.6754  -18.1667
            14  C1z C    28.9189  -18.1608
            15  C1x C    30.0261  -18.8077
            16  C2x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C5x C    22.2876  -22.0126
            20  C1b C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5x O    21.0654  -22.7100
            23  O5x O    24.3454  -18.1167
            24  O5a O    27.6886  -16.1857
            25  O1a O    30.2712  -18.0085
            26  O7a O    31.2425  -17.0098
            27  C7a C    32.4432  -16.3289
            28  C1b C    33.6172  -17.0189
            29  O6a O    32.3846  -14.9107
            30  C1b C    34.8257  -16.3335
            31  C6a C    36.0473  -17.0518
            32  O6a O    37.2551  -16.3675
            33  O6a O    36.0357  -18.4799
BOND        36
            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 2
            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   19  22 2
            26    6  23 2
            27   18  24 2
            28   14  25 1 #Down
            29   20  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   30  31 1
            35   31  32 1
            36   31  33 2

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