KEGG   COMPOUND: C15158
Entry
C15158                      Compound                               
Name
3alpha-Ethynyl-3-hydroxy-5alpha-androstan-17-one
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Other DBs
PubChem: 17396155
ChEBI: 79676
NIKKAJI: J2.793.191J
LinkDB
KCF data

ATOM        23
            1   C1y C    27.0475  -19.7828
            2   C1y C    25.8817  -19.1148
            3   C1y C    28.2197  -19.1026
            4   C1x C    27.0291  -21.1795
            5   C1z C    24.7218  -19.7950
            6   C1x C    25.8695  -17.7605
            7   C1z C    28.2256  -17.7484
            8   C1x C    30.5637  -19.1086
            9   C1x C    25.8877  -21.7989
            10  C1y C    24.7218  -21.1309
            11  C1x C    23.5801  -19.1391
            12  C1a C    24.7036  -18.1673
            13  C1x C    27.0415  -17.0804
            14  C5x C    29.3977  -17.0744
            15  C1a C    28.2255  -16.1363
            16  C1x C    30.5637  -17.7605
            17  C1x C    23.5618  -21.8050
            18  C1x C    22.4203  -19.7950
            19  C1z C    22.4203  -21.1309
            20  O5x O    29.4047  -15.6800
            21  C3b C    21.1852  -21.8359
            22  O1a O    22.4203  -22.5309
            23  C3a C    19.9728  -22.5359
BOND        26
            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     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1 #Up
            15    8  16 1
            16   10  17 1
            17   11  18 1
            18   17  19 1
            19    7  13 1
            20    9  10 1
            21   14  16 1
            22   18  19 1
            23   14  20 2
            24   19  21 1 #Down
            25   19  22 1 #Up
            26   21  23 3

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