COMPOUND: C14637
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Entry
C14637 Compound
Name
16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone
Formula
C21H24O4
Exact mass
340.1675
Mol weight
340.4129
Structure
Mol file
KCF file
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Other DBs
CAS:
337-68-8
PubChem:
17395637
ChEBI:
34173
NIKKAJI:
J83.646J
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KCF data
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ATOM 25
1 C1x C 21.0972 -20.9992
2 C5x C 21.0972 -22.3594
3 C2x C 22.2751 -23.0394
4 C2y C 23.4530 -22.3594
5 C1z C 23.4530 -20.9992
6 C1x C 22.2751 -20.3192
7 C1x C 24.6309 -23.0394
8 C1x C 25.8088 -22.3594
9 C1y C 25.8088 -20.9992
10 C1y C 24.6309 -20.3192
11 C1y C 26.9867 -20.3192
12 C1z C 26.9867 -18.9591
13 C1x C 25.8088 -18.2791
14 C5x C 24.6309 -18.9591
15 C1x C 29.3424 -20.3192
16 C1y C 29.3424 -18.9591
17 C2y C 28.1645 -18.2791
18 C1a C 27.0137 -17.5991
19 C1a C 23.4500 -19.6000
20 O5x O 19.8777 -23.0638
21 O5x O 23.4300 -18.2658
22 O7x O 30.5549 -18.2590
23 C7x C 30.5548 -16.8590
24 C2x C 28.1645 -16.8791
25 O6a O 31.5175 -15.8876
BOND 29
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 5 19 1 #Up
23 2 20 2
24 14 21 2
25 16 22 1
26 22 23 1
27 23 24 1
28 17 24 2
29 23 25 2
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