COMPOUND: C14661
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Entry
C14661 Compound
Name
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-17beta-ol;
17alpha-Ethyl-17beta-estradiol 3-methyl ether
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Mol file
KCF file
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Other DBs
CAS:
17550-03-7
PubChem:
17395660
ChEBI:
34340
NIKKAJI:
J111.510C
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KCF data
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ATOM 23
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 C1x 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 C1z C 28.1231 -18.6477
18 C1a C 26.9712 -17.9670
19 O2a O 19.8448 -23.4274
20 C1a C 18.6166 -22.7180
21 O1a O 28.1227 -17.2201
22 C1b C 29.3300 -17.9200
23 C1a C 30.5555 -18.5969
BOND 26
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 2 19 1
23 19 20 1
24 17 21 1 #Up
25 17 22 1 #Down
26 22 23 1
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