COMPOUND: C15405
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Entry
C15405 Compound
Name
17beta-Carbomethoxyandrost-5-en-3beta-ol;
3beta-Hydroxyandrost-5-ene-17beta-carboxylic acid methyl ester
Formula
C21H32O3
Exact mass
332.2351
Mol weight
332.477
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396402
ChEBI:
79906
NIKKAJI:
J1.243.718H
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KCF data
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ATOM 24
1 C1y C 27.0420 -20.6888
2 C1y C 25.8765 -20.0209
3 C1y C 28.2140 -20.0087
4 C1x C 27.0236 -22.0852
5 C1z C 24.7168 -20.7010
6 C1x C 25.8643 -18.6669
7 C1z C 28.2199 -18.6548
8 C1x C 30.5575 -20.0147
9 C2x C 25.8825 -22.7045
10 C2y C 24.7168 -22.0366
11 C1x C 23.5753 -20.0452
12 C1a C 24.6986 -19.0736
13 C1x C 27.0360 -17.9869
14 C1y C 29.3917 -17.9809
15 C1a C 28.2198 -17.0430
16 C1x C 30.5575 -18.6669
17 C1x C 23.5570 -22.7106
18 C1x C 22.4158 -20.7010
19 C1y C 22.4158 -22.0366
20 O1a O 21.1809 -22.7415
21 C7a C 29.3987 -16.5868
22 O7a O 30.6109 -15.8951
23 O6a O 28.1866 -15.8789
24 C1a C 31.7958 -16.5872
BOND 27
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 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1 #Up
15 8 16 1
16 10 17 1
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 2
21 14 16 1
22 18 19 1
23 19 20 1 #Up
24 14 21 1 #Up
25 21 22 1
26 21 23 2
27 22 24 1
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