COMPOUND: C14553
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Entry
C14553 Compound
Name
3alpha,11beta-Dihydroxy-5beta-androstane-17-one;
11beta-Hydroxyetiocholanolone
Formula
C19H30O3
Exact mass
306.2195
Mol weight
306.4397
Structure
Mol file
KCF file
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Other DBs
CAS:
739-26-4
PubChem:
17395553
ChEBI:
34351
NIKKAJI:
J426.683H
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KCF data
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ATOM 22
1 C1x C 19.8539 -18.4956
2 C1y C 19.8539 -19.8570
3 C1x C 21.0328 -20.5376
4 C1y C 22.2118 -19.8570
5 C1z C 22.2118 -18.4956
6 C1x C 21.0328 -17.8150
7 C1x C 23.3907 -20.5376
8 C1x C 24.5696 -19.8570
9 C1y C 24.5696 -18.4956
10 C1y C 23.3907 -17.8150
11 C1y C 25.7486 -17.8150
12 C1z C 25.7486 -16.4537
13 C1x C 24.5696 -15.7731
14 C1y C 23.3907 -16.4537
15 C1x C 28.1064 -17.8150
16 C1x C 28.1064 -16.4537
17 C5x C 26.9275 -15.7731
18 C1a C 25.7757 -15.0925
19 O5x O 26.9327 -14.4118
20 O1a O 18.6334 -20.5619
21 C1a C 22.2088 -17.0951
22 O1a O 22.1887 -15.7598
BOND 25
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 2
23 2 20 1 #Down
24 5 21 1 #Up
25 14 22 1 #Up
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