 | | COMPOUND: C06391 | |
| Entry |
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| Name |
Algestone;
16alpha,17-Dihydroxypregn-4-ene-3,20-dione
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| Formula |
C21H30O4
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| Exact mass |
346.2144
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| Mol weight |
346.4605
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| Structure |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
C06391 Algestone
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| Other DBs |
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| KCF data |
ATOM 25
1 C1x C 17.5062 -16.3482
2 C5x C 17.5062 -17.7061
3 C2x C 18.6821 -18.3847
4 C2y C 19.8578 -17.7061
5 C1z C 19.8578 -16.3482
6 C1x C 18.6821 -15.6692
7 C1x C 21.0338 -18.3847
8 C1x C 22.2095 -17.7061
9 C1y C 22.2095 -16.3482
10 C1y C 21.0338 -15.6692
11 C1y C 23.3855 -15.6692
12 C1z C 23.3855 -14.3117
13 C1x C 22.2095 -13.6329
14 C1x C 21.0338 -14.3117
15 C1x C 25.7370 -15.6692
16 C1y C 25.7370 -14.3117
17 C1z C 24.5612 -13.6329
18 C1a C 23.4124 -12.9540
19 C1a C 19.8548 -14.9514
20 O5x O 16.3056 -18.3994
21 C5a C 24.5608 -12.2091
22 O5a O 23.3643 -11.5188
23 C1a C 25.7827 -11.5033
24 O1a O 25.7647 -12.9072
25 O1a O 27.1608 -14.3033
BOND 28
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 5 19 1 #Up
23 2 20 2
24 17 21 1 #Up
25 21 22 2
26 21 23 1
27 17 24 1 #Down
28 16 25 1 #Down
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