KEGG   DRUG: Diethyl sebacate
Entry
D10682                      Drug                                   
Name
Diethyl sebacate (NF)
Formula
C14H26O4
Exact mass
258.1831
Mol weight
258.3538
Structure
Efficacy
Pharmaceutic aid (emollient, solvent)
Other DBs
CAS: 110-40-7
PubChem: 254741643
ChEBI: 172099
KCF data

ATOM        18
            1   C1a C     9.7300  -21.2100
            2   C1b C    10.9424  -20.5100
            3   O7a O    12.1549  -21.2100
            4   C7a C    13.3673  -20.5100
            5   O6a O    13.3673  -19.1100
            6   C1b C    14.5797  -21.2100
            7   C1b C    15.7922  -20.5100
            8   C1b C    17.0046  -21.2100
            9   C1b C    18.2170  -20.5100
            10  C1b C    19.4295  -21.2100
            11  C1b C    20.6419  -20.5100
            12  C1b C    21.8544  -21.2100
            13  C1b C    23.0668  -20.5100
            14  C7a C    24.2792  -21.2100
            15  O7a O    25.4917  -20.5100
            16  C1b C    26.7041  -21.2100
            17  C1a C    27.9165  -20.5100
            18  O6a O    24.2792  -22.6100
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     4   6 1
            6     6   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   14  18 2

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