COMPOUND: C14931
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Entry
C14931 Compound
Name
16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Formula
C23H34O3
Exact mass
358.2508
Mol weight
358.5143
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395929
ChEBI:
79456
NIKKAJI:
J2.790.734B
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KCF data
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ATOM 26
1 C1y C 24.4376 -16.4537
2 C1y C 23.2583 -17.1477
3 C1z C 24.4437 -15.0841
4 C1x C 26.8083 -16.4660
5 C1y C 22.0730 -16.4660
6 C1x C 23.2337 -18.4990
7 C1x C 23.2461 -14.4085
8 C1y C 25.6353 -14.4025
9 C1a C 24.3515 -13.6286
10 C1z C 26.8143 -15.0963
11 C8y C 20.9060 -17.1539
12 C1x C 22.0606 -15.1026
13 C1x C 22.0853 -19.1807
14 O1a O 25.6353 -13.1332
15 C8y C 20.9060 -18.5051
16 C8x C 19.7329 -16.4844
17 C8x C 19.7329 -19.1869
18 C8x C 18.5782 -17.1539
19 C8y C 18.5782 -18.5051
20 O2a O 17.4175 -19.1684
21 O1a O 28.0177 -14.4119
22 C1a C 16.2225 -18.4715
23 C1b C 28.0267 -15.7963
24 C1b C 29.2089 -15.1140
25 C1b C 30.4096 -15.8075
26 C1a C 31.5945 -15.1236
BOND 29
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 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 10 21 1 #Up
25 20 22 1
26 10 23 1 #Down
27 23 24 1
28 24 25 1
29 25 26 1
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