KEGG   COMPOUND: C15445
Entry
C15445                      Compound                               
Name
1'H-5alpha-Cholest-2-eno[3,2-b]indole
Formula
C33H49N
Exact mass
459.3865
Mol weight
459.7489
Structure
Other DBs
PubChem: 17396442
ChEBI: 79943
NIKKAJI: J119.129B
LinkDB
KCF data

ATOM        34
            1   C1y C    28.7000  -20.9300
            2   C1y C    27.5800  -21.6300
            3   C1z C    28.7000  -19.6000
            4   C1x C    31.0800  -20.9300
            5   C1y C    26.3900  -20.9300
            6   C1x C    27.5800  -22.9600
            7   C1y C    29.8900  -18.9000
            8   C1x C    27.5800  -18.9000
            9   C1a C    28.7000  -18.2700
            10  C1x C    31.0800  -19.6000
            11  C1z C    25.2000  -21.6300
            12  C1x C    26.3900  -19.6000
            13  C1x C    26.3900  -23.6600
            14  C1c C    29.8900  -17.5700
            15  C1y C    25.2000  -22.9600
            16  C1x C    24.0800  -20.9300
            17  C1a C    25.2000  -20.3000
            18  C1b C    31.0800  -16.8700
            19  C1a C    28.7000  -16.8700
            20  C1x C    24.0800  -23.6600
            21  C8y C    22.8900  -21.6300
            22  C1b C    32.2700  -17.5700
            23  C8y C    22.8900  -22.9600
            24  C1b C    33.5300  -16.8700
            25  C1c C    34.7200  -17.5700
            26  C1a C    35.9100  -16.8700
            27  C1a C    34.7200  -19.1800
            28  C8y C    20.4651  -21.6300
            29  C8y C    20.4651  -22.9600
            30  N4x N    21.6776  -23.6600
            31  C8x C    19.2527  -20.9300
            32  C8x C    18.0403  -21.6300
            33  C8x C    18.0403  -22.9600
            34  C8x C    19.2527  -23.6600
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 1
            27    7  10 1
            28    8  12 1
            29   13  15 1
            30   21  23 2
            31   21  28 1
            32   28  29 2
            33   29  30 1
            34   23  30 1
            35   28  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 2
            39   29  34 1

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