KEGG   COMPOUND: C15350
Entry
C15350                      Compound                               
Name
Estra-1,3,5(10)-triene-3,16alpha-diol dipropionate
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.5085
Structure
Other DBs
PubChem: 17396347
ChEBI: 79852
NIKKAJI: J2.793.958I
LinkDB
KCF data

ATOM        28
            1   C1y C    28.2332  -19.3833
            2   C1y C    27.0605  -20.0568
            3   C1z C    28.2391  -18.0365
            4   C1x C    30.5609  -19.4126
            5   C1y C    25.8936  -19.3660
            6   C1x C    27.0605  -21.4096
            7   C1x C    27.0837  -17.3512
            8   C1x C    29.4178  -17.3745
            9   C1a C    28.2332  -16.6836
            10  C1y C    30.5790  -18.0653
            11  C8y C    24.7150  -20.0453
            12  C1x C    25.9054  -18.0188
            13  C1x C    25.8818  -22.0774
            14  C8y C    24.7092  -21.3980
            15  C8x C    23.5421  -19.3660
            16  C8x C    23.5421  -22.0715
            17  C8x C    22.3057  -20.0453
            18  C8y C    22.2995  -21.3980
            19  O7a O    21.1084  -22.1040
            20  O7a O    31.8113  -17.3756
            21  C7a C    19.9189  -21.4352
            22  C1b C    18.7443  -22.1315
            23  O6a O    19.9724  -20.0208
            24  C7a C    32.9843  -18.0738
            25  C1b C    34.2008  -17.3929
            26  O6a O    32.9658  -19.4600
            27  C1a C    17.5311  -21.4494
            28  C1a C    35.4103  -18.1130
BOND        31
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 2
            14   11  15 1
            15   14  16 1
            16   15  17 2
            17   16  18 2
            18    7  12 1
            19    8  10 1
            20   13  14 1
            21   17  18 1
            22   18  19 1
            23   10  20 1 #Down
            24   19  21 1
            25   21  22 1
            26   21  23 2
            27   20  24 1
            28   24  25 1
            29   24  26 2
            30   22  27 1
            31   25  28 1

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