KEGG   COMPOUND: C20355
Entry
C20355                      Compound                               
Name
Glyceryl tri(2-ethylhexanoate)
Formula
C27H50O6
Exact mass
470.3607
Mol weight
470.6823
Structure
Other DBs
CAS: 7360-38-5
PubChem: 163312093
KCF data

ATOM        33
            1   C1b C    17.9200  -13.7200
            2   C1c C    19.1324  -14.4200
            3   O7a O    16.7076  -14.4200
            4   C1b C    20.3279  -13.7296
            5   O7a O    19.1325  -15.8198
            6   O7a O    21.5153  -14.4151
            7   C7a C    15.5121  -13.7296
            8   C1c C    14.3247  -14.4151
            9   O6a O    15.5120  -12.3203
            10  C1b C    13.1335  -13.7271
            11  C1b C    11.9440  -14.4138
            12  C1b C    10.7539  -13.7265
            13  C1a C     9.5638  -14.4135
            14  C1b C    14.3245  -15.8198
            15  C1a C    13.1312  -16.5088
            16  C7a C    22.7065  -13.7271
            17  C1c C    23.8960  -14.4138
            18  O6a O    22.7065  -12.3203
            19  C1b C    25.0861  -13.7265
            20  C1b C    26.2762  -14.4135
            21  C1b C    27.4660  -13.7263
            22  C1a C    28.6562  -14.4134
            23  C1b C    23.8962  -15.8198
            24  C1a C    25.0891  -16.5084
            25  C7a C    20.3281  -16.5102
            26  O6a O    21.5152  -15.8248
            27  C1c C    20.3282  -17.9197
            28  C1b C    21.5195  -18.6076
            29  C1b C    19.0947  -18.6322
            30  C1a C    22.7044  -17.9235
            31  C1b C    17.8885  -17.9360
            32  C1b C    16.7067  -18.6186
            33  C1a C    15.5124  -17.9291
BOND        32
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     4   6 1
            6     3   7 1
            7     7   8 1
            8     7   9 2
            9     8  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    8  14 1
            14   14  15 1
            15    6  16 1
            16   16  17 1
            17   16  18 2
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   17  23 1
            23   23  24 1
            24    5  25 1
            25   25  26 2
            26   25  27 1
            27   27  28 1
            28   27  29 1
            29   28  30 1
            30   29  31 1
            31   31  32 1
            32   32  33 1

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