COMPOUND: C14879
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Entry
C14879 Compound
Name
17-Methyl-3-(2,4-cyclopentadien-1-ylidene)-5alpha-androstane-17beta-ol
Formula
C25H36O
Exact mass
352.2766
Mol weight
352.5527
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395877
ChEBI:
79406
NIKKAJI:
J2.789.675H
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KCF data
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ATOM 26
1 C1x C 11.0243 -13.0253
2 C2y C 11.0243 -14.3860
3 C1x C 12.2026 -15.0663
4 C1y C 13.3809 -14.3860
5 C1z C 13.3809 -13.0253
6 C1x C 12.2026 -12.3450
7 C1x C 14.5594 -15.0663
8 C1x C 15.7376 -14.3860
9 C1y C 15.7376 -13.0253
10 C1y C 14.5594 -12.3450
11 C1y C 16.9161 -12.3450
12 C1z C 16.9161 -10.9845
13 C1x C 15.7376 -10.3042
14 C1x C 14.5594 -10.9845
15 C1x C 19.2725 -12.3450
16 C1x C 19.2725 -10.9845
17 C1z C 18.0942 -10.3042
18 C1a C 16.9430 -9.6239
19 O1a O 18.0994 -8.9436
20 C1a C 13.3779 -11.6255
21 C1a C 19.4403 -9.9268
22 C2y C 9.8212 -15.0809
23 C2x C 8.5129 -14.4992
24 C2x C 7.5554 -15.5637
25 C2x C 8.2719 -16.8033
26 C2x C 9.6722 -16.5049
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1 #Up
23 5 20 1 #Up
24 17 21 1 #Down
25 2 22 2
26 22 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 22 26 1
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