KEGG   COMPOUND: C17421
Entry
C17421                      Compound                               
Name
Soyasapogenol F;
Soyasapogenol B1
Formula
C30H50O3
Exact mass
458.376
Mol weight
458.7162
Structure
Other DBs
CAS: 104033-83-2
PubChem: 96023771
ChEBI: 81075
NIKKAJI: J1.178.273F
KCF data

ATOM        33
            1   C1z C    27.5347  -22.0609
            2   C1z C    28.7224  -21.3622
            3   C1y C    26.2772  -21.3622
            4   C1x C    27.5347  -23.4581
            5   C2y C    28.7224  -19.9650
            6   C1x C    29.9100  -22.0609
            7   C1a C    28.7224  -22.7595
            8   C1z C    25.0896  -22.0609
            9   C1x C    26.2772  -19.9650
            10  C1x C    26.2772  -24.1567
            11  C2y C    29.9799  -19.2664
            12  C1x C    27.5347  -19.2664
            13  C1x C    31.1675  -21.3622
            14  C1y C    25.0896  -23.4581
            15  C1x C    23.9019  -21.3622
            16  C1z C    31.1675  -20.0349
            17  C1x C    29.9799  -17.8692
            18  C1z C    23.9019  -24.1567
            19  C1x C    22.7143  -22.0609
            20  C1y C    32.3552  -19.3363
            21  C1a C    32.3552  -20.9431
            22  C1z C    31.1675  -17.2404
            23  C1y C    22.7143  -23.4581
            24  C1b C    24.3211  -25.4841
            25  C1a C    23.2033  -25.3444
            26  C1x C    32.3552  -17.9390
            27  C1a C    31.8661  -15.9829
            28  C1a C    30.4689  -15.9829
            29  O1a O    21.5266  -24.1567
            30  O1a O    25.2293  -26.3923
            31  O1a O    33.5681  -20.0300
            32  C1a C    27.5175  -20.7200
            33  C1a C    25.0898  -20.6503
BOND        37
            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 2
            11    5  12 1
            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 1
            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   20  31 1 #Up
            36    1  32 1 #Up
            37    8  33 1 #Up

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