COMPOUND: C15162
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Entry
C15162 Compound
Name
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-8-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol
Formula
C25H31NO3
Exact mass
393.2304
Mol weight
393.5185
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396159
ChEBI:
79680
NIKKAJI:
J2.793.206A
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KCF data
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ATOM 29
1 C8y C 25.7382 -17.8369
2 C8y C 25.7382 -19.2353
3 C2y C 26.9492 -19.9346
4 C2y C 28.1606 -19.2353
5 C1z C 28.1606 -17.8369
6 O2x O 26.9492 -17.1376
7 C8y C 24.5271 -17.1376
8 C8y C 23.3159 -17.8369
9 C8x C 23.3159 -19.2353
10 C8x C 24.5271 -19.9346
11 C8y C 29.3741 -19.9360
12 C1b C 26.9490 -21.3572
13 C8x C 29.3746 -21.3568
14 C8x C 30.5876 -22.0568
15 C8y C 31.8004 -21.3559
16 C8x C 31.7999 -19.9352
17 C8x C 30.5866 -19.2353
18 O2a O 33.0069 -22.0521
19 C1a C 28.9432 -16.6943
20 C1a C 29.3734 -18.5372
21 C1a C 25.7399 -22.0552
22 C1a C 34.2019 -21.3616
23 O1a O 22.1068 -17.1390
24 C1b C 24.5269 -15.7503
25 N1y N 23.2942 -15.0386
26 C1x C 23.1494 -13.6592
27 C1x C 21.7928 -13.3708
28 C1x C 21.0992 -14.5718
29 C1x C 22.0272 -15.6026
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 4 11 1
13 3 12 1
14 11 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 11 17 1
20 15 18 1
21 5 19 1
22 5 20 1
23 12 21 1
24 18 22 1
25 8 23 1
26 7 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 25 29 1
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