COMPOUND: C15228
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Entry
C15228 Compound
Name
beta-Estradiol 17-acetate;
Estra-1,3,5(10)-triene-3,17beta-diol 17-acetate;
17beta-Acetylestradiol
Formula
C20H26O3
Exact mass
314.1882
Mol weight
314.4186
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396225
ChEBI:
79735
NIKKAJI:
J396.239C
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KCF data
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ATOM 23
1 C1y C 21.8632 -20.8533
2 C1y C 20.6905 -21.5268
3 C1z C 21.8691 -19.5065
4 C1x C 24.1909 -20.8826
5 C1y C 19.5236 -20.8360
6 C1x C 20.6905 -22.8796
7 C1x C 20.7137 -18.8212
8 C1y C 23.0478 -18.8445
9 C1a C 21.8632 -18.1536
10 C1x C 24.2090 -19.5353
11 C8y C 18.3450 -21.5153
12 C1x C 19.5354 -19.4888
13 C1x C 19.5118 -23.5474
14 C8y C 18.3392 -22.8680
15 C8x C 17.1721 -20.8360
16 C8x C 17.1721 -23.5415
17 C8x C 15.9357 -21.5153
18 C8y C 15.9295 -22.8680
19 O1a O 14.7384 -23.5740
20 O7a O 22.9956 -17.4305
21 C7a C 24.2060 -16.6705
22 C1a C 25.4500 -17.3286
23 O6a O 24.2238 -15.2616
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 18 19 1
23 8 20 1 #Up
24 20 21 1
25 21 22 1
26 21 23 2
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