KEGG   DRUG: Sorbitan laurate
Entry
D05894                      Drug                                   
Name
Sorbitan laurate (INN);
Sorbitan monolaurate (NF);
Span 20 (TN)
Formula
C18H34O6
Exact mass
346.2355
Mol weight
346.46
Structure
Simcomp
Efficacy
Pharmaceutic aid (surfactant)
Other DBs
CAS: 1338-39-2
PubChem: 47207555
LigandBox: D05894
NIKKAJI: J230.960B
LinkDB
KCF data

ATOM        24
            1   C1b C    26.0782  -19.0395
            2   C1b C    25.0138  -19.6782
            3   C7a C    23.5946  -19.0395
            4   O7a O    22.5302  -19.6782
            5   O6a O    23.5946  -17.7622
            6   C1b C    21.3238  -18.9686
            7   C1c C    20.0465  -19.6782
            8   C1y C    18.8402  -18.9686
            9   C1y C    18.8402  -17.5494
            10  C1y C    17.4920  -17.1236
            11  C1x C    16.6404  -18.2590
            12  O2x O    17.4920  -19.3943
            13  O1a O    17.0662  -15.7753
            14  O1a O    19.9756  -16.7688
            15  O1a O    20.0465  -21.0974
            16  C1b C    27.3072  -19.7491
            17  C1b C    28.5364  -19.0395
            18  C1b C    29.7654  -19.7491
            19  C1b C    30.9944  -19.0395
            20  C1b C    32.2085  -19.7405
            21  C1b C    33.4098  -19.0395
            22  C1b C    34.6390  -19.7491
            23  C1b C    35.8680  -19.0395
            24  C1a C    37.0971  -19.7491
BOND        24
            1     3   4 1
            2     3   5 2
            3     4   6 1
            4     6   7 1
            5     7   8 1
            6     8   9 1
            7     9  10 1
            8    10  11 1
            9    11  12 1
            10    8  12 1
            11   10  13 1 #Down
            12    9  14 1 #Up
            13    7  15 1 #Up
            14    1   2 1
            15    2   3 1
            16    1  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1

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