KEGG   COMPOUND: C14680
Entry
C14680                      Compound                               
Name
5beta-Pregnane-3alpha,17alpha,20alpha-triol
Formula
C21H36O3
Exact mass
336.2664
Mol weight
336.5087
Structure
Other DBs
CAS: 1098-45-9
PubChem: 17395679
ChEBI: 34464
NIKKAJI: J217.212G
LinkDB
KCF data

ATOM        24
            1   C1x C    21.0487  -21.3705
            2   C1y C    21.0487  -22.7321
            3   C1x C    22.2278  -23.4128
            4   C1y C    23.4068  -22.7321
            5   C1z C    23.4068  -21.3705
            6   C1x C    22.2278  -20.6898
            7   C1x C    24.5860  -23.4128
            8   C1x C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C1x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1z C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  C1c C    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  C1a C    29.3127  -16.6085
            22  O1a O    19.8448  -23.4274
            23  O1a O    29.4700  -18.2700
            24  O1a O    26.9290  -16.5875
BOND        27
            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   12  18 1 #Up
            22   17  19 1
            23    5  20 1 #Up
            24   19  21 1
            25    2  22 1 #Down
            26   17  23 1 #Down
            27   19  24 1 #Up

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