COMPOUND: C14635
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Entry
C14635 Compound
Name
16alpha,17alpha-Epoxy-20-oxopregn-5-en-3beta-yl acetate;
16alpha,17alpha-Epoxypregnenolone acetate
Formula
C23H32O4
Exact mass
372.2301
Mol weight
372.4978
Structure
Mol file
KCF file
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Other DBs
CAS:
34209-81-9
PubChem:
17395635
ChEBI:
34169
NIKKAJI:
J146.193A
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KCF data
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ATOM 27
1 C1x C 26.4597 -21.6009
2 C1y C 26.4597 -22.9728
3 C1x C 27.6478 -23.6587
4 C2y C 28.8359 -22.9728
5 C1z C 28.8359 -21.6009
6 C1x C 27.6478 -20.9150
7 C2x C 30.0240 -23.6587
8 C1x C 31.2121 -22.9728
9 C1y C 31.2121 -21.6009
10 C1y C 30.0240 -20.9150
11 C1y C 32.4002 -20.9150
12 C1z C 32.4002 -19.5431
13 C1x C 31.2121 -18.8572
14 C1x C 30.0240 -19.5431
15 C1x C 34.7762 -20.9150
16 C1y C 34.7762 -19.5431
17 C1z C 33.5881 -18.8572
18 C1a C 32.4274 -18.1713
19 C5a C 33.5934 -17.4854
20 O2x O 34.7637 -18.4244
21 C1a C 34.7873 -16.8022
22 C1a C 28.8329 -20.1896
23 O5a O 32.3606 -16.7668
24 O7a O 25.2297 -23.6833
25 C7a C 23.9938 -22.9704
26 C1a C 22.7591 -23.6843
27 O6a O 23.9936 -21.5315
BOND 31
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 2
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 16 20 1 #Down
25 19 21 1
26 5 22 1 #Up
27 19 23 2
28 2 24 1 #Up
29 24 25 1
30 25 26 1
31 25 27 2
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