COMPOUND: C14922
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Entry
C14922 Compound
Name
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate
Formula
C23H32O4S
Exact mass
404.2021
Mol weight
404.5628
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395920
ChEBI:
79447
NIKKAJI:
J2.790.719I
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KCF data
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ATOM 28
1 C1y C 22.3470 -17.5806
2 C1y C 21.2283 -16.9454
3 C1y C 23.4543 -16.9337
4 C1y C 22.3237 -18.8509
5 C1z C 20.1328 -17.5923
6 C1x C 21.2224 -15.6634
7 C1z C 23.4543 -15.6518
8 C1y C 25.6804 -16.9396
9 C1x C 21.2400 -19.4919
10 C2y C 20.1328 -18.8626
11 C1x C 19.0315 -16.9630
12 C1a C 20.1152 -16.1180
13 C1x C 22.3354 -15.0167
14 C1y C 24.5789 -15.0108
15 C1x C 25.6861 -15.6577
16 C2x C 19.0315 -19.5036
17 C1x C 17.9476 -17.5923
18 C5a C 24.5789 -13.7521
19 C5x C 17.9476 -18.8626
20 C1a C 25.6687 -13.1345
21 O5x O 16.7254 -19.5600
22 C1a C 23.4543 -14.2518
23 O5a O 23.3486 -13.0357
24 S2a S 23.5289 -19.5529
25 C5a C 23.5234 -20.9300
26 C1a C 22.3056 -21.6266
27 O5a O 24.7305 -21.6334
28 O1a O 26.6718 -17.9381
BOND 31
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 8 15 1
15 10 16 2
16 11 17 1
17 14 18 1 #Up
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 1
22 14 15 1
23 17 19 1
24 19 21 2
25 7 22 1 #Up
26 18 23 2
27 4 24 1 #Down
28 24 25 1
29 25 26 1
30 25 27 2
31 8 28 1 #Up
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