COMPOUND: C14999
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Entry
C14999 Compound
Name
10-Hydroxyestra-1,4-dien-3-one acetate
Formula
C20H26O3
Exact mass
314.1882
Mol weight
314.4186
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395996
ChEBI:
79522
NIKKAJI:
J2.791.495K
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KCF data
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ATOM 23
1 C1y C 24.4873 -16.5606
2 C1y C 23.3060 -17.2390
3 C1z C 24.4931 -15.2040
4 C1x C 26.9021 -16.5898
5 C1y C 22.1306 -16.5430
6 C1x C 23.3060 -18.6014
7 C1x C 23.3294 -14.5139
8 C1x C 25.6801 -14.5373
9 C1a C 24.4873 -13.8414
10 C1x C 26.8498 -15.2331
11 C1z C 20.9436 -17.2273
12 C1x C 22.1423 -15.1863
13 C1x C 22.1189 -19.2739
14 C2y C 20.9378 -18.5897
15 C2x C 19.7624 -16.5430
16 C2x C 19.7624 -19.2680
17 C2x C 18.5170 -17.2273
18 C5x C 18.5811 -18.5897
19 O5x O 17.3940 -19.2680
20 O7a O 20.9436 -15.8273
21 C7a C 19.7312 -15.1273
22 C1a C 18.5285 -15.8216
23 O6a O 19.7311 -13.7200
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 1
14 11 15 1
15 14 16 2
16 15 17 2
17 16 18 1
18 18 19 2
19 7 12 1
20 8 10 1
21 13 14 1
22 17 18 1
23 11 20 1 #Up
24 20 21 1
25 21 22 1
26 21 23 2
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