COMPOUND: C14955
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Entry
C14955 Compound
Name
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Formula
C22H28O3S
Exact mass
372.1759
Mol weight
372.5209
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395953
ChEBI:
79479
NIKKAJI:
J2.790.785G
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KCF data
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ATOM 26
1 C1y C 25.1052 -17.6251
2 C1y C 23.9279 -18.3012
3 C1z C 25.1110 -16.2730
4 C1x C 27.5119 -17.6542
5 C1y C 22.7564 -17.6075
6 C1x C 23.9279 -19.6590
7 C1x C 23.9512 -15.5852
8 C1y C 26.2940 -15.6086
9 C1a C 25.1052 -14.9150
10 C1x C 27.4598 -16.3020
11 C8y C 21.5734 -18.2895
12 C1x C 22.7681 -16.2554
13 C1x C 22.7447 -20.3293
14 S2a S 26.2883 -14.2448
15 C8y C 21.5676 -19.6474
16 C8x C 20.3961 -17.6075
17 C8x C 20.3961 -20.3234
18 C8x C 19.1549 -18.2895
19 C8y C 19.1488 -19.6474
20 O7a O 18.0357 -20.3234
21 C5a C 27.5092 -13.5331
22 C1a C 28.7080 -14.2187
23 O5a O 27.5034 -12.1430
24 C7a C 16.7973 -19.6010
25 C1a C 15.5970 -20.2870
26 O6a O 16.8036 -18.2126
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 14 21 1
25 21 22 1
26 21 23 2
27 20 24 1
28 24 25 1
29 24 26 2
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