COMPOUND: C14616
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Entry
C14616 Compound
Name
(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol;
9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol
Formula
C20H33FO3
Exact mass
340.2414
Mol weight
340.4726
Structure
Mol file
KCF file
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CAS:
53649-14-2
PubChem:
17395616
ChEBI:
34003
NIKKAJI:
J2.788.572A
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KCF data
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ATOM 24
1 C1x C 18.6472 -24.4292
2 C1y C 18.6472 -25.7894
3 C1x C 19.8251 -26.4694
4 C1y C 21.0030 -25.7894
5 C1z C 21.0030 -24.4292
6 C1x C 19.8251 -23.7492
7 C1x C 22.1809 -26.4694
8 C1x C 23.3588 -25.7894
9 C1y C 23.3588 -24.4292
10 C1z C 22.1809 -23.7492
11 C1y C 24.5367 -23.7492
12 C1z C 24.5367 -22.3891
13 C1x C 23.3588 -21.7091
14 C1y C 22.1809 -22.3891
15 C1x C 26.8924 -23.7492
16 C1x C 26.8924 -22.3891
17 C1z C 25.7145 -21.7091
18 X F 22.1835 -25.1093
19 C1a C 24.5637 -21.0291
20 O1a O 25.7197 -20.3490
21 O1a O 17.4277 -26.4938
22 O1a O 20.9800 -21.6958
23 C1a C 27.0200 -21.3500
24 C1a C 21.0000 -23.0300
BOND 27
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 10 18 1 #Down
22 12 19 1 #Up
23 17 20 1 #Up
24 2 21 1 #Down
25 14 22 1 #Up
26 17 23 1 #Down
27 5 24 1 #Up
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