COMPOUND: C14959
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Entry
C14959 Compound
Name
Estra-1,3,5(10),16-tetraen-3-ol benzoate
Formula
C25H26O2
Exact mass
358.1933
Mol weight
358.4727
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395957
ChEBI:
79483
NIKKAJI:
J2.790.791A
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KCF data
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ATOM 27
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 C2x C 25.6801 -14.5373
9 C1a C 24.4873 -13.8414
10 C2x C 26.8498 -15.2331
11 C8y C 20.9436 -17.2273
12 C1x C 22.1423 -15.1863
13 C1x C 22.1189 -19.2739
14 C8y C 20.9378 -18.5897
15 C8x C 19.7624 -16.5430
16 C8x C 19.7624 -19.2680
17 C8x C 18.5170 -17.2273
18 C8y C 18.5811 -18.5897
19 O7a O 17.3940 -19.2680
20 C7a C 16.1515 -18.5432
21 C8y C 14.9471 -19.2315
22 O6a O 16.1578 -17.1501
23 C8x C 13.7703 -18.5452
24 C8x C 12.5548 -19.2399
25 C8x C 12.5487 -20.6399
26 C8x C 13.7254 -21.3262
27 C8x C 15.0109 -20.6315
BOND 31
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 18 19 1
19 7 12 1
20 8 10 2
21 13 14 1
22 17 18 1
23 19 20 1
24 20 21 1
25 20 22 2
26 21 23 2
27 23 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 21 27 1
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