COMPOUND: C15303
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Entry
C15303 Compound
Name
(Z)-11beta,21-Dihydroxypregna-1,4,17(20)-trien-3-one
Formula
C21H28O3
Exact mass
328.2038
Mol weight
328.4452
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396300
ChEBI:
79805
NIKKAJI:
J2.793.755A
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KCF data
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ATOM 24
1 C1y C 27.6698 -21.4547
2 C1y C 26.4893 -20.7844
3 C1y C 28.8382 -20.7721
4 C1x C 27.6452 -22.7951
5 C1z C 25.3334 -21.4670
6 C1y C 26.4831 -19.4316
7 C1z C 28.8382 -19.4194
8 C1x C 31.1871 -20.7783
9 C1x C 26.5017 -23.4714
10 C2y C 25.3334 -22.8074
11 C2x C 24.1713 -20.8030
12 C1a C 25.3148 -19.9113
13 C1x C 27.6575 -18.7493
14 C2y C 30.0248 -18.7430
15 C1x C 31.1931 -19.4256
16 C2x C 24.1713 -23.4838
17 C2x C 23.0276 -21.4670
18 C2b C 30.0248 -17.4149
19 C5x C 23.0276 -22.8074
20 C1a C 28.8382 -18.2376
21 O5x O 21.7379 -23.5433
22 O1a O 25.1988 -18.6965
23 C1b C 28.7266 -16.6589
24 O1a O 27.4767 -17.3746
BOND 27
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 5 12 1 #Up
12 6 13 1
13 7 14 1
14 8 15 1
15 10 16 2
16 11 17 2
17 14 18 2
18 16 19 1
19 7 13 1
20 9 10 1
21 14 15 1
22 17 19 1
23 7 20 1 #Up
24 19 21 2
25 6 22 1 #Up
26 18 23 1
27 23 24 1
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