COMPOUND: C14889
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Entry
C14889 Compound
Name
5alpha-Androstane-2beta-fluoro-17beta-ol-3-one acetate;
(2beta,5alpha,17beta)-17-(Acetyloxy)-2-fluoro-androstan-3-one
Formula
C21H31FO3
Exact mass
350.2257
Mol weight
350.4674
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395887
ChEBI:
79416
NIKKAJI:
J2.790.338J
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KCF data
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ATOM 25
1 C1y C 27.0462 -21.1118
2 C1y C 25.8805 -20.4439
3 C1y C 28.2183 -20.4317
4 C1x C 27.0278 -22.5085
5 C1z C 24.7206 -21.1240
6 C1x C 25.8683 -19.0897
7 C1z C 28.2242 -19.0776
8 C1x C 30.5622 -20.4377
9 C1x C 25.8865 -23.1278
10 C1y C 24.7206 -22.4599
11 C1x C 23.5790 -20.4682
12 C1a C 24.7024 -19.4964
13 C1x C 27.0402 -18.4096
14 C1y C 29.3962 -18.4036
15 C1a C 28.2241 -17.4655
16 C1x C 30.5622 -19.0897
17 C1x C 23.5607 -23.1339
18 C1y C 22.4193 -21.1240
19 C5x C 22.4193 -22.4599
20 O5x O 21.1842 -23.1648
21 X F 21.2016 -20.4136
22 O7a O 29.4032 -17.0093
23 C7a C 30.6156 -16.3174
24 C1a C 31.8006 -17.0097
25 O6a O 30.6229 -14.9098
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 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 18 21 1 #Up
25 14 22 1 #Up
26 22 23 1
27 23 24 1
28 23 25 2
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