COMPOUND: C15267
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Entry
C15267 Compound
Name
(17Z)-3,11-Dioxopregna-4,17(20)-dien-21-oic acid methyl ester
Formula
C22H28O4
Exact mass
356.1988
Mol weight
356.4553
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396264
ChEBI:
79769
NIKKAJI:
J2.792.290B
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KCF data
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ATOM 26
1 C1y C 26.6870 -20.7306
2 C1y C 25.5683 -20.0954
3 C1y C 27.7943 -20.0837
4 C1x C 26.6637 -22.0009
5 C1z C 24.4728 -20.7423
6 C5x C 25.5624 -18.8134
7 C1z C 27.7943 -18.8018
8 C1x C 30.0204 -20.0896
9 C1x C 25.5800 -22.6419
10 C2y C 24.4728 -22.0126
11 C1x C 23.3715 -20.1130
12 C1a C 24.4552 -19.2680
13 C1x C 26.6754 -18.1667
14 C2y C 28.9189 -18.1608
15 C1x C 30.0261 -18.8077
16 C2x C 23.3715 -22.6536
17 C1x C 22.2876 -20.7423
18 C2b C 28.9189 -16.9021
19 C5x C 22.2876 -22.0126
20 C1a C 27.7943 -17.6818
21 O5x O 21.0654 -22.7100
22 O5x O 24.3453 -18.1167
23 C7a C 27.6886 -16.1857
24 O7a O 26.5040 -16.8639
25 O6a O 27.6935 -14.7703
26 C1a C 25.3163 -16.1721
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 1
17 14 18 2
18 16 19 1
19 7 13 1
20 9 10 1
21 14 15 1
22 17 19 1
23 7 20 1 #Up
24 19 21 2
25 6 22 2
26 18 23 1
27 23 24 1
28 23 25 2
29 24 26 1
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