COMPOUND: C15098
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Entry
C15098 Compound
Name
21-Fluoro-11beta-hydroxypregn-4-ene-3,20-dione;
21-Fluoro-11beta-hydroxyprogesterone
Formula
C21H29FO3
Exact mass
348.2101
Mol weight
348.4516
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396095
ChEBI:
79617
NIKKAJI:
J2.792.715G
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KCF data
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ATOM 25
1 C1y C 22.4870 -18.1406
2 C1y C 21.3683 -17.5054
3 C1y C 23.5943 -17.4937
4 C1x C 22.4637 -19.4109
5 C1z C 20.2728 -18.1523
6 C1y C 21.3624 -16.2234
7 C1z C 23.5943 -16.2118
8 C1x C 25.8204 -17.4996
9 C1x C 21.3800 -20.0519
10 C2y C 20.2728 -19.4226
11 C1x C 19.1715 -17.5230
12 C1a C 20.2552 -16.6780
13 C1x C 22.4754 -15.5767
14 C1y C 24.7189 -15.5708
15 C1x C 25.8261 -16.2177
16 C2x C 19.1715 -20.0636
17 C1x C 18.0876 -18.1523
18 C5a C 24.7189 -14.3121
19 C5x C 18.0876 -19.4226
20 C1b C 25.8087 -13.6945
21 C1a C 23.5943 -14.8118
22 O5x O 16.8654 -20.1200
23 O5a O 23.4886 -13.5957
24 X F 27.0425 -14.4198
25 O1a O 20.1454 -15.5267
BOND 28
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 7 21 1 #Up
25 19 22 2
26 18 23 2
27 20 24 1
28 6 25 1 #Up
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