COMPOUND: C15160
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Entry
C15160 Compound
Name
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(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:
17396157
ChEBI:
79678
NIKKAJI:
J2.793.195B
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KCF data
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ATOM 29
1 C8y C 25.7360 -17.8354
2 C8y C 25.7360 -19.2336
3 C2y C 26.9469 -19.9329
4 C2y C 28.1582 -19.2336
5 C1z C 28.1582 -17.8354
6 O2x O 26.9469 -17.1361
7 C8x C 24.5250 -17.1361
8 C8y C 23.3139 -17.8354
9 C8y C 23.3139 -19.2336
10 C8x C 24.5250 -19.9329
11 C8y C 29.3716 -19.9343
12 C1b C 26.9467 -21.3554
13 C8x C 29.3721 -21.3550
14 C8x C 30.5850 -22.0549
15 C8y C 31.7976 -21.3541
16 C8x C 31.7971 -19.9335
17 C8x C 30.5840 -19.2336
18 O2a O 33.0040 -22.0502
19 C1a C 28.9407 -16.6929
20 C1a C 29.3709 -18.5356
21 C1a C 25.7377 -22.0533
22 C1b C 22.0911 -19.9395
23 N1y N 20.9024 -19.2530
24 C1x C 20.7560 -17.8582
25 C1x C 19.3843 -17.5664
26 C1x C 18.6828 -18.7810
27 C1x C 19.6211 -19.8234
28 C1a C 34.1989 -21.3598
29 O1a O 22.1049 -17.1375
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 9 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 23 27 1
31 18 28 1
32 8 29 1
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