COMPOUND: C14918
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Entry
C14918 Compound
Name
9-Bromo-16alpha-methyl-pregn-4-ene-3,11,20-trione
Formula
C22H29BrO3
Exact mass
420.13
Mol weight
421.3679
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395916
ChEBI:
79443
NIKKAJI:
J2.790.715F
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KCF data
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ATOM 26
1 C1y C 22.3470 -17.5806
2 C1z C 21.2283 -16.9454
3 C1y C 23.4543 -16.9337
4 C1x C 22.3237 -18.8509
5 C1z C 20.1328 -17.5923
6 C5x C 21.2224 -15.6634
7 C1z C 23.4543 -15.6518
8 C1x C 25.6804 -16.9396
9 C1x C 21.2400 -19.4919
10 C2y C 20.1328 -18.8626
11 C1x C 19.0315 -16.9630
12 C1a C 20.1152 -16.1180
13 C1x C 22.3354 -15.0167
14 C1y C 24.5789 -15.0108
15 C1y C 25.6861 -15.6577
16 C2x C 19.0315 -19.5036
17 C1x C 17.9476 -17.5923
18 C5a C 24.5789 -13.7521
19 C5x C 17.9476 -18.8626
20 C1a C 25.6687 -13.1345
21 X Br 21.2283 -18.1983
22 C1a C 23.4543 -14.2518
23 C1a C 26.8952 -14.9675
24 O5x O 16.7254 -19.5600
25 O5x O 20.0053 -14.9667
26 O5a O 23.3486 -13.0357
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 2
16 11 17 1
17 14 18 1 #Up
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 1
22 14 15 1
23 17 19 1
24 2 21 1 #Down
25 7 22 1 #Up
26 15 23 1 #Down
27 19 24 2
28 6 25 2
29 18 26 2
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