COMPOUND: C15458
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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
Mol file
KCF file
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Other DBs
PubChem:
17396455
ChEBI:
79955
NIKKAJI:
J2.794.491D
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KCF data
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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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