COMPOUND: C14243
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Entry
C14243 Compound
Name
3,3'-Dihydroxyhexestrol;
4,4'-(1,2-Diethylethylene)dipyrocatechol
Formula
C18H22O4
Exact mass
302.1518
Mol weight
302.3649
Structure
Mol file
KCF file
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Other DBs
CAS:
79199-51-2
PubChem:
7847053
ChEBI:
34319
NIKKAJI:
J125.944J
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KCF data
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ATOM 22
1 C1c C 25.6434 -15.1651
2 C1c C 25.6548 -16.5549
3 C8y C 24.4281 -14.4731
4 C1b C 26.8528 -14.4615
5 C8y C 26.8645 -17.2526
6 C1b C 24.4513 -17.2526
7 C8x C 23.2185 -15.1651
8 C8x C 24.4281 -13.0719
9 C1a C 28.0622 -15.1535
10 C8x C 26.8645 -18.6483
11 C8x C 28.0739 -16.5490
12 C1a C 23.2418 -16.5606
13 C8y C 22.0091 -14.4731
14 C8x C 23.2185 -12.3682
15 C8x C 28.0798 -19.3460
16 C8y C 29.2891 -17.2467
17 C8y C 22.0091 -13.0719
18 C8y C 29.2891 -18.6423
19 O1a O 20.7938 -12.3682
20 O1a O 30.4988 -19.3460
21 O1a O 30.5199 -16.5346
22 O1a O 20.7705 -15.1912
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1
13 8 14 2
14 10 15 1
15 11 16 2
16 13 17 2
17 15 18 2
18 17 19 1
19 18 20 1
20 14 17 1
21 16 18 1
22 16 21 1
23 13 22 1
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