COMPOUND: C14636
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Entry
C14636 Compound
Name
9alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate;
Isoflupredone acetate;
U-6013
Formula
C23H29FO6
Exact mass
420.1948
Mol weight
420.4712
Structure
Mol file
KCF file
DB search
Remark
Same as:
D04627
Other DBs
CAS:
338-98-7
PubChem:
17395636
ChEBI:
34517
NIKKAJI:
J5.683I
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KCF data
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ATOM 30
1 C2x C 17.7969 -18.8186
2 C5x C 17.7969 -20.1827
3 C2x C 18.9781 -20.8646
4 C2y C 20.1594 -20.1827
5 C1z C 20.1594 -18.8186
6 C2x C 18.9781 -18.1367
7 C1x C 21.3406 -20.8646
8 C1x C 22.5218 -20.1827
9 C1y C 22.5218 -18.8186
10 C1z C 21.3406 -18.1367
11 C1y C 23.7031 -18.1367
12 C1z C 23.7031 -16.7728
13 C1x C 22.5218 -16.0908
14 C1y C 21.3406 -16.7728
15 C1x C 26.0654 -18.1367
16 C1x C 26.0654 -16.7728
17 C1z C 24.8842 -16.0908
18 X F 21.3432 -19.5006
19 C1a C 23.7301 -15.4089
20 C5a C 24.8894 -14.5169
21 C1a C 20.1564 -17.4155
22 C1b C 26.0765 -13.8377
23 O1a O 20.1363 -16.0775
24 O7a O 27.2712 -14.5338
25 O1a O 26.1934 -15.7307
26 O5x O 16.5739 -20.8891
27 O5a O 23.6638 -13.8025
28 C7a C 28.4693 -13.8483
29 C1a C 29.6550 -14.5391
30 O6a O 28.4751 -12.4324
BOND 33
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
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 17 20 1 #Up
24 5 21 1 #Up
25 20 22 1
26 14 23 1 #Up
27 22 24 1
28 17 25 1 #Down
29 2 26 2
30 20 27 2
31 24 28 1
32 28 29 1
33 28 30 2
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