COMPOUND: C14648
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Entry
C14648 Compound
Name
6alpha-Chloro-17-acetoxyprogesterone;
6alpha-Chloro-17-hydroxypregn-4-ene-3,20-dione acetate
Formula
C23H31ClO4
Exact mass
406.1911
Mol weight
406.9428
Structure
Mol file
KCF file
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Other DBs
CAS:
2477-73-8
PubChem:
17395648
ChEBI:
34473
NIKKAJI:
J66.972E
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KCF data
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ATOM 28
1 C1x C 21.0980 -20.9999
2 C5x C 21.0980 -22.3602
3 C2x C 22.2759 -23.0402
4 C2y C 23.4538 -22.3602
5 C1z C 23.4538 -20.9999
6 C1x C 22.2759 -20.3199
7 C1y C 24.6318 -23.0402
8 C1x C 25.8097 -22.3602
9 C1y C 25.8097 -20.9999
10 C1y C 24.6318 -20.3199
11 C1y C 26.9877 -20.3199
12 C1z C 26.9877 -18.9598
13 C1x C 25.8097 -18.2798
14 C1x C 24.6318 -18.9598
15 C1x C 29.3434 -20.3199
16 C1x C 29.3434 -18.9598
17 C1z C 28.1655 -18.2798
18 C1a C 27.0147 -17.5997
19 C5a C 28.1707 -16.9196
20 C1a C 23.4508 -19.6007
21 O5x O 19.8783 -23.0647
22 C1a C 29.3539 -16.2426
23 O5a O 26.9475 -16.2066
24 X Cl 24.6318 -24.4300
25 O7a O 29.3300 -17.5700
26 C7a C 30.5587 -18.2410
27 C1a C 31.7634 -17.5064
28 O6a O 30.5922 -19.6700
BOND 31
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 12 18 1 #Up
22 17 19 1 #Up
23 5 20 1 #Up
24 2 21 2
25 19 22 1
26 19 23 2
27 7 24 1 #Down
28 17 25 1 #Down
29 25 26 1
30 26 27 1
31 26 28 2
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