COMPOUND: C14615
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Entry
C14615 Compound
Name
17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione
Formula
C20H28O3
Exact mass
316.2038
Mol weight
316.4345
Structure
Mol file
KCF file
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Other DBs
CAS:
5419-48-7
PubChem:
17395615
ChEBI:
34181
NIKKAJI:
J543.810A
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KCF data
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ATOM 23
1 C1x C 18.6472 -24.4292
2 C5x C 18.6472 -25.7894
3 C2x C 19.8251 -26.4694
4 C2y C 21.0030 -25.7894
5 C1z C 21.0030 -24.4292
6 C1x C 19.8251 -23.7492
7 C1x C 22.1809 -26.4694
8 C1x C 23.3588 -25.7894
9 C1y C 23.3588 -24.4292
10 C1y C 22.1809 -23.7492
11 C1y C 24.5367 -23.7492
12 C1z C 24.5367 -22.3891
13 C1x C 23.3588 -21.7091
14 C5x C 22.1809 -22.3891
15 C1x C 26.8924 -23.7492
16 C1x C 26.8924 -22.3891
17 C1z C 25.7145 -21.7091
18 C1a C 24.5637 -21.0291
19 O1a O 25.7197 -20.3490
20 C1a C 27.0200 -21.3500
21 O5x O 17.4277 -26.4938
22 O5x O 20.9800 -21.6958
23 C1a C 21.0000 -23.0300
BOND 26
1 1 2 1
2 2 3 1
3 3 4 2
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 17 20 1 #Down
24 2 21 2
25 14 22 2
26 5 23 1 #Up
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