KEGG   COMPOUND: C15173
Entry
C15173                      Compound                               
Name
3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;
(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester
Formula
C23H37O5P
Exact mass
424.2379
Mol weight
424.5106
Structure
Other DBs
PubChem: 17396170
ChEBI: 79691
NIKKAJI: J2.793.250I
LinkDB
KCF data

ATOM        29
            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   C1x C    25.5624  -18.8134
            7   C1z C    27.7943  -18.8018
            8   C1x C    30.0204  -20.0896
            9   C2x 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  C1y C    28.9189  -18.1608
            15  C1y C    30.0261  -18.8077
            16  C1x C    23.3715  -22.6536
            17  C1x C    22.2876  -20.7423
            18  C5a C    28.9189  -16.9021
            19  C1y C    22.2876  -22.0126
            20  C1a C    30.0087  -16.2845
            21  C1a C    27.7943  -17.4018
            22  O5a O    27.6886  -16.1857
            23  O1a O    21.0654  -22.7100
            24  P1b P    31.4261  -18.8077
            25  O1c O    32.8261  -18.8077
            26  O2b O    31.4261  -20.2077
            27  O1c O    31.4261  -17.4077
            28  C1b C    32.6511  -20.9148
            29  C1a C    33.8335  -20.2319
BOND        32
            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 2
            22   14  15 1
            23   17  19 1
            24    7  21 1 #Up
            25   18  22 2
            26   19  23 1 #Up
            27   15  24 1
            28   24  25 1
            29   24  26 1
            30   24  27 2
            31   26  28 1
            32   28  29 1

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