COMPOUND: C14664
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Entry
C14664 Compound
Name
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide
Formula
C24H33FO6
Exact mass
436.2261
Mol weight
436.5136
Structure
Mol file
KCF file
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Other DBs
CAS:
1524-86-3
PubChem:
17395663
ChEBI:
34509
NIKKAJI:
J206.734J
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KCF data
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ATOM 31
1 C1x C 20.3517 -22.0723
2 C5x C 20.3517 -23.4296
3 C2x C 21.5271 -24.1081
4 C2y C 22.7023 -23.4296
5 C1z C 22.7023 -22.0723
6 C1x C 21.5271 -21.3937
7 C1x C 23.8778 -24.1081
8 C1x C 25.0530 -23.4296
9 C1y C 25.0530 -22.0723
10 C1z C 23.8778 -21.3937
11 C1y C 26.2284 -21.3937
12 C1z C 26.2284 -20.0367
13 C1x C 25.0530 -19.3582
14 C1y C 23.8778 -20.0367
15 C1x C 28.5790 -21.3937
16 C1y C 28.5790 -20.0367
17 C1z C 27.4037 -19.3582
18 X F 23.8804 -22.7511
19 C1a C 26.2554 -18.6796
20 C1a C 22.6993 -20.6761
21 O1a O 22.6536 -19.3300
22 O5x O 19.1517 -24.1227
23 C5a C 27.4033 -17.9351
24 O5a O 26.2074 -17.2450
25 C1b C 28.6246 -17.2295
26 O2x O 28.6067 -18.6328
27 O2x O 30.0022 -20.0283
28 C1z C 30.0022 -18.6328
29 C1a C 30.9890 -17.6461
30 C1a C 31.2915 -19.1668
31 O1a O 28.6241 -15.8159
BOND 35
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 10 18 1 #Down
22 12 19 1 #Up
23 5 20 1 #Up
24 14 21 1 #Up
25 2 22 2
26 17 23 1 #Up
27 23 24 2
28 23 25 1
29 17 26 1 #Down
30 16 27 1 #Down
31 26 28 1
32 27 28 1
33 28 29 1
34 28 30 1
35 25 31 1
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