COMPOUND: C14973
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Entry
C14973 Compound
Name
17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;
S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate
Formula
C22H32O3S
Exact mass
376.2072
Mol weight
376.5527
Structure
Mol file
KCF file
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Other DBs
CAS:
6947-46-2
PubChem:
17395971
ChEBI:
79497
NIKKAJI:
J2.791.422E
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KCF data
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ATOM 26
1 C1y C 22.7075 -16.6328
2 C1y C 21.5417 -15.9648
3 C1y C 23.8797 -15.9526
4 C1y C 22.6891 -18.0295
5 C1z C 20.3818 -16.6450
6 C1x C 21.5295 -14.6105
7 C1z C 23.8856 -14.5984
8 C1x C 26.2237 -15.9586
9 C1x C 21.5477 -18.6489
10 C2y C 20.3818 -17.9809
11 C1x C 19.2401 -15.9891
12 C1a C 20.3636 -15.0173
13 C1x C 22.7015 -13.9304
14 C1y C 25.0577 -13.9244
15 C1a C 23.8855 -12.9863
16 C1x C 26.2237 -14.6105
17 C2x C 19.2218 -18.6550
18 C1x C 18.0803 -16.6450
19 C5x C 18.0803 -17.9809
20 O5x O 16.8452 -18.6859
21 O1a O 25.0647 -12.5300
22 S2a S 23.8941 -18.7571
23 C5a C 25.1003 -18.0918
24 C1b C 26.3058 -18.8199
25 C1a C 27.5383 -18.1403
26 O5a O 25.1277 -16.6600
BOND 29
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 2
17 11 18 1
18 17 19 1
19 7 13 1
20 9 10 1
21 14 16 1
22 18 19 1
23 19 20 2
24 14 21 1 #Up
25 4 22 1 #Down
26 22 23 1
27 23 24 1
28 24 25 1
29 23 26 2
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