COMPOUND: C14650
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Entry
C14650 Compound
Name
3-Hydroxyestra-1,3,5(10),6-tetraen-17-one;
6-Dehydroestrone
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.3502
Structure
Mol file
KCF file
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Other DBs
CAS:
2208-12-0
PubChem:
17395650
ChEBI:
34339
NIKKAJI:
J142.419J
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KCF data
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ATOM 20
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 C2x C 24.5860 -23.4128
8 C2x 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 C5x C 28.1231 -18.6477
18 C1a C 26.9712 -17.9670
19 O5x O 28.1283 -17.2862
20 O1a O 19.8448 -23.4274
BOND 23
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 2
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 2
23 2 20 1
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