COMPOUND: C14758
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Entry
C14758 Compound
Name
ICI 164384;
N-n-Butyl-N-methyl-11-[3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl]undecanamide
Formula
C34H55NO3
Exact mass
525.4182
Mol weight
525.8054
Structure
Mol file
KCF file
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Other DBs
CAS:
98007-99-9
PubChem:
17395756
ChEBI:
40710
PDB-CCD:
AOE
[
PDBj
]
NIKKAJI:
J367.470C
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KCF data
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ATOM 38
1 C8x C 21.0487 -21.3705
2 C8y C 21.0487 -22.7321
3 C8x C 22.2278 -23.4128
4 C8y C 23.4068 -22.7321
5 C8y C 23.4068 -21.3705
6 C8x C 22.2278 -20.6898
7 C1x C 24.5860 -23.4128
8 C1y C 25.7650 -22.7321
9 C1y C 25.7650 -21.3705
10 C1y C 24.5860 -20.6898
11 C1y C 26.9442 -20.6898
12 C1z C 26.9442 -19.3284
13 C1x C 25.7650 -18.6477
14 C1x C 24.5860 -19.3284
15 C1x C 29.3022 -20.6898
16 C1x C 29.3022 -19.3284
17 C1y C 28.1231 -18.6477
18 C1a C 26.9712 -17.9670
19 O1a O 28.1283 -17.2862
20 O1a O 19.8448 -23.4274
21 C1b C 26.9814 -23.4343
22 C1b C 28.1634 -22.7517
23 C1b C 29.3575 -23.4412
24 C1b C 30.5454 -22.7552
25 C1b C 31.7365 -23.4429
26 C1b C 32.9260 -22.7561
27 C1b C 34.1162 -23.4434
28 C1b C 35.3061 -22.7564
29 C1b C 36.4962 -23.4435
30 C1b C 37.6861 -22.7564
31 C5a C 38.8761 -23.4436
32 N1c N 40.0661 -22.7564
33 O5a O 38.8762 -24.8498
34 C1b C 41.2561 -23.4436
35 C1a C 40.0662 -21.3502
36 C1b C 42.4461 -22.7564
37 C1b C 43.6361 -23.4436
38 C1a C 44.8261 -22.7564
BOND 41
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
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 17 19 1 #Up
23 2 20 1
24 8 21 1 #Down
25 21 22 1
26 22 23 1
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 31 33 2
37 32 34 1
38 32 35 1
39 34 36 1
40 36 37 1
41 37 38 1
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