COMPOUND: C14923
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Entry
C14923 Compound
Name
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione
Formula
C22H31ClO3
Exact mass
378.1962
Mol weight
378.9327
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395921
ChEBI:
79448
NIKKAJI:
J2.790.722I
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KCF data
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ATOM 26
1 C1y C 22.3470 -17.5806
2 C1y 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 C1x 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 C1z C 22.3354 -15.0167
14 C1y C 24.5789 -15.0108
15 C1x C 25.6861 -15.6577
16 C2x C 19.0315 -19.5036
17 C1x C 17.9476 -17.5923
18 C5a C 24.5789 -12.7721
19 C5x C 17.9476 -18.8626
20 C1a C 23.4543 -14.2518
21 O5x O 16.7254 -19.5600
22 C1b C 22.3354 -13.6167
23 C1a C 25.7983 -12.0683
24 O5a O 23.3459 -12.0606
25 X Cl 21.1336 -12.9229
26 O1a O 21.1230 -14.3167
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 7 13 1
20 9 10 1
21 14 15 1
22 17 19 1
23 7 20 1 #Up
24 19 21 2
25 13 22 1 #Down
26 18 23 1
27 18 24 2
28 22 25 1
29 13 26 1 #Up
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