COMPOUND: C15090
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Entry
C15090 Compound
Name
17-Hydroxy-3-oxo-17alpha-pregna-1,4-diene-21-carboxylic acid, gamma-lactone
Formula
C22H28O3
Exact mass
340.2038
Mol weight
340.4559
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396087
ChEBI:
79609
NIKKAJI:
J2.792.527H
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KCF data
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ATOM 25
1 C1y C 15.0984 -16.4519
2 C1y C 13.9316 -15.7956
3 C1y C 16.2651 -15.7956
4 C1x C 15.0984 -17.7646
5 C1z C 12.8377 -16.4519
6 C1x C 13.9316 -14.4830
7 C1z C 16.2651 -14.4830
8 C1x C 18.5987 -15.7956
9 C1x C 13.9316 -18.4209
10 C2y C 12.8377 -17.7646
11 C2x C 11.6709 -15.7956
12 C1a C 12.7648 -14.9205
13 C1x C 15.0984 -13.8267
14 C1z C 17.4319 -13.7537
15 C1x C 18.5987 -14.4830
16 C2x C 11.6709 -18.4938
17 C2x C 10.5041 -16.4519
18 C5x C 10.5041 -17.7646
19 C1a C 15.4630 -13.0974
20 O5x O 9.2644 -18.4938
21 C1x C 16.6298 -11.4931
22 C1x C 16.1922 -12.8786
23 O7x O 18.5258 -12.8786
24 C7x C 18.0883 -11.4931
25 O6a O 18.9504 -10.3167
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 2
16 11 17 2
17 16 18 1
18 7 13 1
19 9 10 1
20 14 15 1
21 17 18 1
22 7 19 1 #Up
23 18 20 2
24 21 22 1
25 14 22 1 #Down
26 14 23 1 #Up
27 23 24 1
28 21 24 1
29 24 25 2
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