COMPOUND: C14477
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Entry
C14477 Compound
Name
3,3-Difluoro-5alpha-androstan-17beta-yl acetate;
3,3-Difluoroandrostane-17-ol acetate
Formula
C21H32F2O2
Exact mass
354.237
Mol weight
354.4744
Structure
Mol file
KCF file
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Other DBs
CAS:
1827-75-4
PubChem:
17395477
ChEBI:
34322
NIKKAJI:
J507.807E
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KCF data
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ATOM 25
1 C1x C 24.0184 -21.2627
2 C1z C 24.0184 -22.6268
3 C1x C 25.1996 -23.3087
4 C1y C 26.3808 -22.6268
5 C1z C 26.3808 -21.2627
6 C1x C 25.1996 -20.5808
7 C1x C 27.5620 -23.3087
8 C1x C 28.7432 -22.6268
9 C1y C 28.7432 -21.2627
10 C1y C 27.5620 -20.5808
11 C1y C 29.9244 -20.5808
12 C1z C 29.9244 -19.2168
13 C1x C 28.7432 -18.5349
14 C1x C 27.5620 -19.2168
15 C1x C 32.2867 -20.5808
16 C1x C 32.2867 -19.2168
17 C1y C 31.1055 -18.5349
18 C1a C 29.8115 -17.7130
19 O7a O 31.1108 -17.1710
20 X F 22.5872 -22.5972
21 X F 23.3593 -23.7905
22 C1a C 26.3778 -19.8595
23 C7a C 32.2977 -16.4918
24 C1a C 33.4924 -17.1880
25 O6a O 32.3033 -15.0865
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
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 12 18 1 #Up
22 17 19 1 #Up
23 2 20 1
24 2 21 1
25 5 22 1 #Up
26 19 23 1
27 23 24 1
28 23 25 2
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