COMPOUND: C15062
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Entry
C15062 Compound
Name
17beta-Hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbonitrile
Formula
C20H25NO2
Exact mass
311.1885
Mol weight
311.418
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396059
ChEBI:
79582
NIKKAJI:
J2.791.800J
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KCF data
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ATOM 23
1 C1y C 24.0332 -16.7933
2 C1y C 22.8605 -17.4668
3 C1z C 24.0391 -15.4465
4 C1x C 26.3609 -16.8226
5 C1y C 21.6936 -16.7760
6 C1x C 22.8605 -18.8196
7 C1x C 22.8837 -14.7612
8 C1z C 25.2178 -14.7845
9 C1a C 24.0332 -14.0936
10 C1x C 26.3790 -15.4753
11 C8y C 20.5150 -17.4553
12 C1x C 21.7054 -15.4288
13 C1x C 21.6818 -19.4874
14 C8y C 20.5092 -18.8080
15 C8x C 19.3421 -16.7760
16 C8x C 19.3421 -19.4815
17 C8x C 18.1057 -17.4553
18 C8y C 18.0995 -18.8080
19 O1a O 25.2356 -13.3705
20 O2a O 16.9084 -19.5140
21 C1a C 15.7189 -18.8452
22 C3b C 26.5701 -14.7021
23 N3a N 27.9924 -14.6898
BOND 26
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 1 #Up
23 18 20 1
24 20 21 1
25 8 22 1 #Down
26 22 23 3
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