COMPOUND: C14954
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Entry
C14954 Compound
Name
17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetate
Formula
C22H32O3
Exact mass
344.2351
Mol weight
344.4877
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395952
ChEBI:
79478
NIKKAJI:
J2.790.784I
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KCF data
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ATOM 25
1 C1y C 24.4575 -16.6328
2 C1y C 23.2917 -15.9648
3 C1y C 25.6297 -15.9526
4 C2x C 24.4391 -18.0295
5 C1z C 22.1318 -16.6450
6 C1x C 23.2795 -14.6105
7 C1z C 25.6356 -14.5984
8 C1x C 27.9737 -15.9586
9 C2x C 23.2977 -18.6489
10 C2y C 22.1318 -17.9809
11 C1x C 20.9901 -15.9891
12 C1a C 22.1136 -15.0173
13 C1x C 24.4515 -13.9304
14 C1z C 26.8077 -13.9244
15 C1a C 25.6355 -12.9863
16 C1x C 27.9737 -14.6105
17 C2x C 20.9718 -18.6550
18 C1x C 19.8303 -16.6450
19 C1y C 19.8303 -17.9809
20 O7a O 18.5952 -18.6859
21 O1a O 26.8147 -12.5300
22 C1a C 28.1600 -13.5620
23 C7a C 17.4066 -17.9917
24 C1a C 16.2091 -18.6752
25 O6a O 17.4136 -16.5901
BOND 28
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 2
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 1 #Up
24 14 21 1 #Up
25 14 22 1 #Down
26 20 23 1
27 23 24 1
28 23 25 2
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