COMPOUND: C15014
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Entry
C15014 Compound
Name
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16,17-dione 16-oxime
Formula
C21H25NO3
Exact mass
339.1834
Mol weight
339.4281
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396011
ChEBI:
79537
NIKKAJI:
J2.791.534E
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KCF data
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ATOM 25
1 C1y C 31.7503 -20.5619
2 C1y C 30.5734 -21.2379
3 C1z C 31.7562 -19.2103
4 C1x C 34.0864 -20.5913
5 C1y C 29.4023 -20.5446
6 C1x C 30.5734 -22.5956
7 C1x C 30.5967 -18.5226
8 C5x C 32.9392 -18.5459
9 C1a C 31.7503 -17.8525
10 C2y C 34.1046 -19.2392
11 C8y C 28.2194 -21.2264
12 C1x C 29.4142 -19.1925
13 C1x C 29.3905 -23.2657
14 C8y C 28.2136 -22.5839
15 C8x C 27.0423 -20.5446
16 C8x C 27.0423 -23.2598
17 C8x C 25.8014 -21.2264
18 C8y C 25.7952 -22.5839
19 O5x O 32.9571 -17.1268
20 N2b N 35.3412 -18.5470
21 O2a O 24.5998 -23.2924
22 C1b C 23.4060 -22.6213
23 C2b C 22.2271 -23.3200
24 C2a C 21.0096 -22.6354
25 O1b O 36.5186 -19.2476
BOND 28
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 11 14 2
14 11 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 7 12 1
19 8 10 1
20 13 14 1
21 17 18 1
22 8 19 2
23 10 20 2
24 18 21 1
25 21 22 1
26 22 23 1
27 23 24 2
28 20 25 1
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