KEGG   COMPOUND: C15458
Entry
C15458                      Compound                               
Name
(alphaS,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanol
Formula
C22H23NO2
Exact mass
333.1729
Mol weight
333.4235
Structure
Other DBs
PubChem: 17396455
ChEBI: 79955
NIKKAJI: J2.794.491D
LinkDB
KCF data

ATOM        25
            1   C8y C    25.5500  -19.9500
            2   C8x C    25.5500  -21.3500
            3   C8x C    26.7624  -22.0500
            4   C8y C    27.9749  -21.3500
            5   C8x C    27.9749  -19.9500
            6   C8x C    26.7624  -19.2500
            7   C1d C    24.3376  -19.2500
            8   C1c C    23.1421  -19.9404
            9   C8y C    21.9547  -19.2549
            10  N5x N    21.9546  -17.8502
            11  C8x C    20.7421  -17.1503
            12  C8x C    19.5297  -17.8504
            13  C8x C    19.5299  -19.2551
            14  C8x C    20.7424  -19.9550
            15  C8y C    23.1420  -21.3497
            16  C8x C    21.9506  -22.0378
            17  C8x C    21.9507  -23.4378
            18  C8x C    23.1632  -24.1376
            19  C8x C    24.3547  -23.4496
            20  C8x C    24.3545  -22.0496
            21  O2a O    29.2060  -22.0610
            22  C1a C    30.4112  -21.3653
            23  C1b C    25.5500  -18.5500
            24  O1a O    23.6376  -17.7576
            25  C1a C    25.5500  -17.1500
BOND        27
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    8  15 1 #Up
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23    4  21 1
            24   21  22 1
            25    7  23 1 #Up
            26    7  24 1 #Down
            27   23  25 1

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