COMPOUND: C15444
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Entry
C15444 Compound
Name
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one
Formula
C20H31FO3
Exact mass
338.2257
Mol weight
338.4567
Structure
Mol file
KCF file
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Other DBs
CAS:
53649-13-1
PubChem:
17396441
ChEBI:
79942
NIKKAJI:
J2.794.468J
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KCF data
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ATOM 24
1 C1y C 29.3575 -20.6928
2 C1z C 28.1917 -20.0248
3 C1y C 30.5297 -20.0126
4 C1x C 29.3391 -22.0895
5 C1z C 27.0318 -20.7050
6 C1y C 28.1795 -18.6705
7 C1z C 30.5356 -18.6584
8 C1x C 32.8737 -20.0186
9 C1x C 28.1977 -22.7089
10 C1y C 27.0318 -22.0409
11 C1x C 25.8901 -20.0491
12 C1a C 27.0136 -19.0773
13 C1x C 29.3515 -17.9904
14 C1z C 31.7077 -17.9844
15 C1a C 30.5355 -17.0463
16 C1x C 32.8737 -18.6705
17 C1x C 25.8718 -22.7150
18 C1x C 24.7303 -20.7050
19 C5x C 24.7303 -22.0409
20 X F 28.1855 -21.3424
21 O5x O 23.4952 -22.7459
22 O1a O 26.9946 -17.9952
23 O1a O 31.7147 -16.5900
24 C1a C 33.0600 -17.6220
BOND 27
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 2 20 1 #Down
24 19 21 2
25 6 22 1 #Up
26 14 23 1 #Up
27 14 24 1 #Down
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