KEGG   DRUG: Isopropyl palmitate
Entry
D04632                      Drug                                   
Name
Isopropyl palmitate (NF)
Formula
C19H38O2
Exact mass
298.2872
Mol weight
298.5038
Structure
Simcomp
Efficacy
Pharmaceutic aid (vehicle, oleaginous)
Other DBs
CAS: 142-91-6
PubChem: 47206475
ChEBI: 84262
LigandBox: D04632
NIKKAJI: J11.002G
KCF data

ATOM        21
            1   O6a O    17.0560  -15.6790
            2   C7a C    17.0560  -17.0789
            3   O7a O    15.8436  -17.7789
            4   C1c C    14.6306  -17.0785
            5   C1a C    13.4174  -17.7791
            6   C1a C    14.6306  -15.6790
            7   C1b C    18.2684  -17.7789
            8   C1b C    19.4807  -17.0789
            9   C1b C    20.6931  -17.7789
            10  C1b C    21.9054  -17.0789
            11  C1b C    23.1177  -17.7789
            12  C1b C    24.3301  -17.0789
            13  C1b C    25.5424  -17.7789
            14  C1b C    26.7549  -17.0789
            15  C1b C    27.9672  -17.7789
            16  C1b C    29.1795  -17.0789
            17  C1b C    30.3919  -17.7789
            18  C1b C    31.6043  -17.0789
            19  C1b C    32.8165  -17.7789
            20  C1b C    34.0386  -17.0734
            21  C1a C    35.2398  -17.7671
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1

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