KEGG   COMPOUND: C19666
Entry
C19666                      Compound                               
Name
Stigmastane
Formula
C29H52
Exact mass
400.4069
Mol weight
400.7232
Structure
Other DBs
PubChem: 135626134
KCF data

ATOM        29
            1   C1x C    18.5500  -20.3000
            2   C1x C    18.5500  -21.7000
            3   C1x C    19.7400  -22.3300
            4   C1y C    20.9300  -21.7000
            5   C1z C    20.9300  -20.3000
            6   C1x C    19.7400  -19.6000
            7   C1x C    22.1200  -22.3300
            8   C1x C    23.3100  -21.7000
            9   C1y C    23.3100  -20.3000
            10  C1y C    22.1200  -19.6000
            11  C1y C    24.5000  -19.6000
            12  C1z C    24.5000  -18.2700
            13  C1x C    23.3100  -17.5700
            14  C1x C    22.1200  -18.2700
            15  C1x C    26.8800  -19.6000
            16  C1x C    26.8800  -18.2700
            17  C1y C    25.6900  -17.5700
            18  C1c C    25.6900  -16.1700
            19  C1b C    26.8800  -15.4700
            20  C1a C    24.5000  -15.4700
            21  C1b C    28.0700  -16.1700
            22  C1c C    29.2600  -15.4700
            23  C1c C    30.3800  -16.1700
            24  C1a C    31.5700  -15.4700
            25  C1b C    29.2600  -14.1400
            26  C1a C    30.3800  -17.5700
            27  C1a C    24.5000  -16.8700
            28  C1a C    20.9300  -18.9000
            29  C1a C    30.4724  -13.4400
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1
            22   18  19 1
            23   18  20 1 #Down
            24   19  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   22  25 1 #Up
            29   23  26 1
            30   12  27 1 #Up
            31    5  28 1 #Up
            32   25  29 1

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