COMPOUND: C15027
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Entry
C15027 Compound
Name
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Formula
C27H26O5
Exact mass
430.1780
Mol weight
430.49
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396024
ChEBI:
79549
NIKKAJI:
J2.791.705D
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KCF data
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ATOM 32
1 C8y C 21.6111 -13.0799
2 C8y C 21.6111 -14.4786
3 C2y C 22.8224 -15.1781
4 C2y C 24.0340 -14.4786
5 C1z C 24.0340 -13.0799
6 O2x O 22.8224 -12.3804
7 C8x C 20.3997 -12.3804
8 C8y C 19.1881 -13.0799
9 C8x C 19.1881 -14.4786
10 C8x C 20.3997 -15.1781
11 O7a O 17.9848 -12.3853
12 C8y C 25.2478 -15.1795
13 C8y C 22.8222 -16.6011
14 C8x C 21.6164 -17.2969
15 C8x C 21.6162 -18.6977
16 C8y C 22.8293 -19.3983
17 C8x C 24.0350 -18.7024
18 C8x C 24.0352 -17.3016
19 C8x C 25.2483 -16.6007
20 C8x C 26.4617 -17.3007
21 C8y C 27.6747 -16.5998
22 C8x C 27.6742 -15.1787
23 C8x C 26.4607 -14.4786
24 O2a O 22.8291 -20.8035
25 O2a O 28.8814 -17.2960
26 C1a C 24.8168 -11.9370
27 C1a C 25.2471 -13.7803
28 C7a C 16.7771 -13.0828
29 C1a C 15.5946 -12.4003
30 O6a O 16.7769 -14.4995
31 C1a C 30.1175 -16.5816
32 C1a C 24.0288 -21.4963
BOND 35
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 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 12 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 12 23 1
27 16 24 1
28 21 25 1
29 5 26 1
30 5 27 1
31 11 28 1
32 28 29 1
33 28 30 2
34 25 31 1
35 24 32 1
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