COMPOUND: C15050
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Entry
C15050 Compound
Name
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate;
4-Ethyl-3-(p-hydroxyphenyl)-2,2-dimethyl-2H-1-benzopyran-7-ol diacetate
Formula
C23H24O5
Exact mass
380.1624
Mol weight
380.4337
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396047
ChEBI:
79570
NIKKAJI:
J2.791.771B
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KCF data
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ATOM 28
1 C8y C 13.9811 -11.5399
2 C8y C 13.9811 -12.9386
3 C2y C 15.1924 -13.6381
4 C2y C 16.4040 -12.9386
5 C1z C 16.4040 -11.5399
6 O2x O 15.1924 -10.8404
7 C8x C 12.7697 -10.8404
8 C8y C 11.5581 -11.5399
9 C8x C 11.5581 -12.9386
10 C8x C 12.7697 -13.6381
11 O7a O 10.3548 -10.8453
12 C8y C 17.6178 -13.6395
13 C1b C 15.1922 -15.0611
14 C8x C 17.6183 -15.0607
15 C8x C 18.8317 -15.7607
16 C8y C 20.0447 -15.0598
17 C8x C 20.0442 -13.6387
18 C8x C 18.8307 -12.9386
19 O7a O 21.2514 -15.7560
20 C1a C 17.1868 -10.3970
21 C1a C 17.6171 -12.2403
22 C7a C 9.1471 -11.5428
23 C1a C 7.9646 -10.8603
24 O6a O 9.1469 -12.9595
25 C1a C 13.9828 -15.7591
26 C7a C 22.4875 -15.0416
27 C1a C 23.6906 -15.7356
28 O6a O 22.4869 -13.6501
BOND 30
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 8 11 1
13 4 12 1
14 3 13 1
15 12 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 12 18 1
21 16 19 1
22 5 20 1
23 5 21 1
24 11 22 1
25 22 23 1
26 22 24 2
27 13 25 1
28 19 26 1
29 26 27 1
30 26 28 2
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