COMPOUND: C14630
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Entry
C14630 Compound
Name
9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione
Formula
C22H31FO3
Exact mass
362.2257
Mol weight
362.4781
Structure
Mol file
KCF file
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Other DBs
CAS:
378-38-1
PubChem:
17395630
ChEBI:
34518
NIKKAJI:
J213.599J
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KCF data
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ATOM 26
1 C1x C 21.0972 -20.9992
2 C5x C 21.0972 -22.3594
3 C2x C 22.2751 -23.0394
4 C2y C 23.4530 -22.3594
5 C1z C 23.4530 -20.9992
6 C1x C 22.2751 -20.3192
7 C1y C 24.6309 -23.0394
8 C1x C 25.8088 -22.3594
9 C1y C 25.8088 -20.9992
10 C1z C 24.6309 -20.3192
11 C1y C 26.9867 -20.3192
12 C1z C 26.9867 -18.9591
13 C1x C 25.8088 -18.2791
14 C1y C 24.6309 -18.9591
15 C1x C 29.3424 -20.3192
16 C1x C 29.3424 -18.9591
17 C1y C 28.1645 -18.2791
18 X F 24.6335 -21.6793
19 C1a C 27.0137 -17.5991
20 C5a C 28.1697 -16.9190
21 O1a O 23.4300 -18.2658
22 C1a C 24.6309 -24.4300
23 O5x O 19.8777 -23.0638
24 C1a C 29.3534 -16.2417
25 O5a O 26.9475 -16.2066
26 C1a C 23.4500 -19.6000
BOND 29
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 10 18 1 #Down
22 12 19 1 #Up
23 17 20 1 #Up
24 14 21 1 #Up
25 7 22 1 #Down
26 2 23 2
27 20 24 1
28 20 25 2
29 5 26 1 #Up
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