KEGG   COMPOUND: C17422
Entry
C17422                      Compound                               
Name
Soyasapogenol C;
Sapogenol C
Formula
C30H48O2
Exact mass
440.3654
Mol weight
440.7009
Structure
Other DBs
CAS: 595-14-2
PubChem: 96023772
ChEBI: 81076
NIKKAJI: J16.225F
LinkDB
KCF data

ATOM        32
            1   C1z C    28.1198  -22.0236
            2   C1z C    29.3088  -21.3242
            3   C1y C    26.8609  -21.3242
            4   C1x C    28.1198  -23.4223
            5   C2y C    29.3088  -19.9254
            6   C1x C    30.4977  -22.0236
            7   C1a C    29.3088  -22.7229
            8   C1z C    25.6720  -22.0236
            9   C1x C    26.8609  -19.9254
            10  C1x C    26.8609  -24.1217
            11  C1y C    30.5676  -19.2260
            12  C2x C    28.1198  -19.2260
            13  C1x C    31.7566  -21.3242
            14  C1y C    25.6720  -23.4223
            15  C1x C    24.4830  -21.3242
            16  C1z C    31.7566  -19.9954
            17  C1x C    30.5676  -17.8273
            18  C1z C    24.4830  -24.1217
            19  C1x C    23.2941  -22.0236
            20  C2x C    32.9455  -19.2960
            21  C1a C    32.9455  -20.9046
            22  C1z C    31.7566  -17.1978
            23  C1y C    23.2941  -23.4223
            24  C1b C    24.9027  -25.4505
            25  C1a C    23.7837  -25.3107
            26  C2x C    32.9455  -17.8972
            27  C1a C    32.4560  -15.9389
            28  C1a C    31.0572  -15.9389
            29  O1a O    22.1751  -24.1217
            30  O1a O    25.8119  -26.3597
            31  C1a C    25.6723  -20.6501
            32  C1a C    28.1033  -21.0705
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Down
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    8  14 1
            14    8  15 1
            15   11  16 1
            16   11  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1
            22   18  23 1
            23   18  24 1 #Up
            24   18  25 1 #Down
            25   20  26 2
            26   22  27 1
            27   22  28 1
            28   23  29 1 #Up
            29    9  12 1
            30   10  14 1
            31   13  16 1
            32   19  23 1
            33   22  26 1
            34   24  30 1
            35    8  31 1 #Up
            36    1  32 1 #Up

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