| | COMPOUND: C14631 | |
Entry |
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Name |
5-Androstene-3beta,16alpha-diol;
3beta,16alpha-Dihydroxy-5-androstene;
Cetadiol
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Formula |
C19H30O2
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Exact mass |
290.2246
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Mol weight |
290.4403
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Structure |
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Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0202 C19 steroids (androgens) and derivatives
C14631 5-Androstene-3beta,16alpha-diol
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Other DBs |
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KCF data |
ATOM 21
1 C1x C 21.0972 -20.9992
2 C1y C 21.0972 -22.3594
3 C1x C 22.2751 -23.0394
4 C2y C 23.4530 -22.3594
5 C1z C 23.4530 -20.9992
6 C1x C 22.2751 -20.3192
7 C2x C 24.6309 -23.0394
8 C1x C 25.8088 -22.3594
9 C1y C 25.8088 -20.9992
10 C1y C 24.6309 -20.3192
11 C1y C 26.9867 -20.3192
12 C1z C 26.9867 -18.9591
13 C1x C 25.8088 -18.2791
14 C1x C 24.6309 -18.9591
15 C1x C 29.3424 -20.3192
16 C1y C 29.3424 -18.9591
17 C1x C 28.1645 -18.2791
18 C1a C 27.0137 -17.5991
19 O1a O 19.8777 -23.0638
20 O1a O 30.5408 -18.2672
21 C1a C 23.4500 -19.6000
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 2
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 2 19 1 #Up
23 16 20 1 #Down
24 5 21 1 #Up
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