COMPOUND: C14934
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Entry
C14934 Compound
Name
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Formula
C22H32O3
Exact mass
344.2351
Mol weight
344.4877
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395932
ChEBI:
79459
NIKKAJI:
J2.790.737G
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KCF data
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ATOM 25
1 C1y C 19.1091 -9.8451
2 C1y C 17.9269 -10.5409
3 C1z C 19.1153 -8.4721
4 C1x C 21.4858 -9.8575
5 C1y C 16.7386 -9.8575
6 C1x C 17.9022 -11.8956
7 C1x C 17.9146 -7.7948
8 C1y C 20.3099 -7.7888
9 C1a C 19.0228 -7.0129
10 C1z C 21.4918 -8.4843
11 C8y C 15.5686 -10.5471
12 C1x C 16.7262 -8.4906
13 C1x C 16.7509 -12.5790
14 O1a O 20.3099 -6.5163
15 C8y C 15.5686 -11.9017
16 C8x C 14.3926 -9.8759
17 C8x C 14.3926 -12.5852
18 C8x C 13.2350 -10.5471
19 C8y C 13.2350 -11.9017
20 O2a O 12.0714 -12.5667
21 O1a O 22.6983 -7.7982
22 C1a C 10.8734 -11.8680
23 C1b C 22.7073 -9.1861
24 C1b C 23.8925 -8.5021
25 C1a C 25.0962 -9.1973
BOND 28
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
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