COMPOUND: C15432
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Entry
C15432 Compound
Name
Flurogestone acetate;
9alpha-Fluoro-11-hydroxy,17alpha-acetoxyprogesterone;
9-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-acetate
Formula
C23H31FO5
Exact mass
406.2156
Mol weight
406.4876
Structure
Mol file
KCF file
DB search
Remark
Same as:
D04235
Other DBs
CAS:
2529-45-5
PubChem:
17396429
ChEBI:
79932
NIKKAJI:
J7.601E
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KCF data
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ATOM 29
1 C1x C 20.3700 -21.4900
2 C5x C 20.3700 -22.8200
3 C2x C 21.5600 -23.5200
4 C2y C 22.6800 -22.8200
5 C1z C 22.6800 -21.4900
6 C1x C 21.5600 -20.8600
7 C1x C 23.9400 -23.5200
8 C1x C 25.1300 -22.8200
9 C1y C 25.1300 -21.4900
10 C1z C 23.9400 -20.8600
11 C1y C 26.3200 -20.8600
12 C1z C 26.3200 -19.3900
13 C1x C 25.1300 -18.6900
14 C1y C 23.9400 -19.3900
15 O5x O 19.1800 -23.5200
16 C1a C 22.6800 -20.1600
17 O1a O 22.6800 -18.6900
18 C1a C 26.3200 -17.9900
19 X F 23.9400 -22.1200
20 C1x C 28.7000 -20.8600
21 C1x C 28.7000 -19.3900
22 C1z C 27.5100 -18.6900
23 C5a C 27.5100 -17.3600
24 C1a C 26.3200 -16.6600
25 O5a O 28.7000 -16.6600
26 O7a O 28.7000 -18.0600
27 C7a C 29.8900 -18.6900
28 C1a C 31.0100 -17.9900
29 O6a O 29.8900 -20.0900
BOND 32
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 2 15 2
18 5 16 1 #Up
19 14 17 1 #Up
20 12 18 1 #Up
21 10 19 1 #Down
22 11 20 1
23 20 21 1
24 21 22 1
25 12 22 1
26 22 23 1 #Up
27 23 24 1
28 23 25 2
29 22 26 1 #Down
30 26 27 1
31 27 28 1
32 27 29 2
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