COMPOUND: C15159
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Entry
C15159 Compound
Name
3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396156
ChEBI:
79677
NIKKAJI:
J2.793.193F
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KCF data
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ATOM 24
1 C2y C 24.3600 -25.9700
2 C7x C 24.3600 -24.6400
3 O6a O 25.5500 -23.9400
4 C1x C 23.1476 -26.6700
5 C1y C 20.7900 -26.6700
6 C1y C 19.6700 -25.9700
7 C1y C 21.9800 -25.9700
8 C1x C 20.7900 -28.0700
9 C1z C 18.4800 -26.6700
10 C1x C 19.6700 -24.6400
11 C1z C 21.9800 -24.6400
12 C1x C 19.6700 -28.6300
13 C1y C 18.4800 -28.0000
14 C1x C 17.3600 -25.9700
15 C1a C 18.4800 -25.0600
16 C1x C 20.7900 -23.9400
17 O7x O 23.1700 -23.9400
18 C1a C 21.9800 -23.0300
19 C1x C 17.3600 -28.6300
20 C1x C 16.1700 -26.6700
21 C1y C 16.1700 -28.0000
22 O1a O 14.9800 -28.7000
23 C2b C 25.5724 -26.6700
24 O1a O 26.7679 -25.9796
BOND 27
1 1 2 1
2 2 3 2
3 1 4 1
4 5 6 1
5 5 7 1
6 5 8 1
7 6 9 1
8 6 10 1
9 7 11 1
10 8 12 1
11 9 13 1
12 9 14 1
13 9 15 1 #Up
14 10 16 1
15 11 17 1
16 11 18 1 #Up
17 13 19 1
18 14 20 1
19 19 21 1
20 11 16 1
21 12 13 1
22 20 21 1
23 21 22 1 #Up
24 4 7 1
25 1 23 2
26 23 24 1
27 2 17 1
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