COMPOUND: C15161
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Entry
C15161 Compound
Name
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy-2H-1-benzopyran-8-methanol diacetate
Formula
C25H28O6
Exact mass
424.1886
Mol weight
424.4862
Structure
Mol file
KCF file
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PubChem:
17396158
ChEBI:
79679
NIKKAJI:
J2.793.205C
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KCF data
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ATOM 31
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 C1b C 24.5269 -15.7503
12 O7a O 23.2942 -15.0386
13 C1b C 26.9491 -21.3500
14 C1a C 25.7373 -22.0495
15 O7a O 22.1047 -17.1377
16 C8y C 29.3637 -19.9301
17 C8x C 29.3640 -21.3496
18 C8x C 30.5766 -22.0493
19 C8y C 31.7889 -21.3491
20 C8x C 31.7886 -19.9296
21 C8x C 30.5760 -19.2298
22 O2a O 32.9952 -22.0453
23 C1a C 34.1865 -21.3570
24 C1a C 28.8606 -16.6245
25 C1a C 29.4429 -18.5493
26 C7a C 20.8986 -17.8342
27 C1a C 19.7165 -17.1519
28 O6a O 20.8984 -19.2496
29 C7a C 23.2943 -13.6501
30 C1a C 24.5185 -12.9433
31 O6a O 22.0937 -12.9568
BOND 33
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 7 11 1
13 11 12 1
14 3 13 1
15 13 14 1
16 8 15 1
17 4 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 16 21 1
24 19 22 1
25 22 23 1
26 5 24 1
27 5 25 1
28 15 26 1
29 26 27 1
30 26 28 2
31 12 29 1
32 29 30 1
33 29 31 2
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