| | COMPOUND: C14594 | |
Entry |
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Name |
3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one;
Tetrahydro-11-deoxycortisol
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Formula |
C21H34O4
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Exact mass |
350.2457
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Mol weight |
350.4923
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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
C14594 3alpha,17alpha,21-Trihydroxy-5beta-pregnan-20-one
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Other DBs |
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KCF data |
ATOM 25
1 C1x C 19.2772 -18.8293
2 C1y C 19.2772 -20.1895
3 C1x C 20.4551 -20.8695
4 C1y C 21.6330 -20.1895
5 C1z C 21.6330 -18.8293
6 C1x C 20.4551 -18.1493
7 C1x C 22.8109 -20.8695
8 C1x C 23.9888 -20.1895
9 C1y C 23.9888 -18.8293
10 C1y C 22.8109 -18.1493
11 C1y C 25.1668 -18.1493
12 C1z C 25.1668 -16.7891
13 C1x C 23.9888 -16.1091
14 C1x C 22.8109 -16.7891
15 C1x C 27.5225 -18.1493
16 C1x C 27.5225 -16.7891
17 C1z C 26.3446 -16.1091
18 C1a C 25.1938 -15.4291
19 C5a C 26.3498 -14.7490
20 O1a O 27.6500 -15.7500
21 C1b C 27.5334 -14.0717
22 O5a O 25.1275 -14.0366
23 O1a O 28.7248 -14.7659
24 O1a O 18.0577 -20.8939
25 C1a C 21.6300 -17.4300
BOND 28
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 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 17 19 1 #Up
23 17 20 1 #Down
24 19 21 1
25 19 22 2
26 21 23 1
27 2 24 1 #Down
28 5 25 1 #Up
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