KEGG   DRUG: Butyl stearate
Entry
D10681                      Drug                                   
Name
Butyl stearate (NF);
N-Butyl stearate
Formula
C22H44O2
Exact mass
340.3341
Mol weight
340.5836
Structure
Simcomp
Efficacy
Pharmaceutic aid (surfactant)
Other DBs
CAS: 123-95-5
PubChem: 254741642
LinkDB
KCF data

ATOM        24
            1   C1a C     5.8324  -17.2200
            2   C1b C     7.0449  -16.5200
            3   C1b C     8.2573  -17.2200
            4   C1b C     9.4697  -16.5200
            5   O7a O    10.6822  -17.2200
            6   C7a C    11.8946  -16.5200
            7   C1b C    13.1070  -17.2200
            8   C1b C    14.3195  -16.5200
            9   C1b C    15.5319  -17.2200
            10  C1b C    16.7444  -16.5200
            11  C1b C    17.9568  -17.2200
            12  C1b C    19.1692  -16.5200
            13  C1b C    20.3817  -17.2200
            14  C1b C    21.5941  -16.5200
            15  C1b C    22.8065  -17.2200
            16  C1b C    24.0190  -16.5200
            17  C1b C    25.2314  -17.2200
            18  C1b C    26.4438  -16.5200
            19  C1b C    27.6563  -17.2200
            20  C1b C    28.8687  -16.5200
            21  C1b C    30.0811  -17.2200
            22  C1b C    31.2936  -16.5200
            23  O6a O    11.8946  -15.1200
            24  C1a C    32.5060  -17.2200
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   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   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22    6  23 2
            23   22  24 1

» Japanese version   » Back

DBGET integrated database retrieval system