COMPOUND: C14976
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Entry
C14976 Compound
Name
3alpha,21-Dihydroxy-D-homo-5beta-pregn-17a(20)-en-11-one
Formula
C22H34O3
Exact mass
346.2508
Mol weight
346.5036
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395974
ChEBI:
79500
NIKKAJI:
J2.791.426H
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KCF data
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ATOM 25
1 C1y C 22.3470 -17.5806
2 C1y C 21.2283 -16.9454
3 C1y C 23.4543 -16.9337
4 C1x C 22.3237 -18.8509
5 C1z C 20.1328 -17.5923
6 C5x C 21.2224 -15.6634
7 C1z C 23.4543 -15.6518
8 C1x C 25.6804 -16.9396
9 C1x C 21.2400 -19.4919
10 C1y C 20.1328 -18.8626
11 C1x C 19.0315 -16.9630
12 C1a C 20.1152 -16.1180
13 C1x C 22.3354 -15.0167
14 C2y C 24.5789 -15.0108
15 C1x C 25.6861 -15.6577
16 C1x C 19.0315 -19.5036
17 C1x C 17.9476 -17.5923
18 C2b C 24.5789 -13.7521
19 C1y C 17.9476 -18.8626
20 C1b C 25.6687 -13.1345
21 C1a C 23.4530 -14.2800
22 C1x C 24.4719 -17.6302
23 O5x O 20.0053 -14.9667
24 O1a O 16.7254 -19.5600
25 O1a O 26.9026 -13.8598
BOND 28
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 4 9 1
8 5 10 1
9 5 11 1
10 5 12 1 #Up
11 6 13 1
12 7 14 1
13 8 15 1
14 10 16 1
15 11 17 1
16 14 18 2
17 16 19 1
18 18 20 1
19 7 13 1
20 9 10 1
21 14 15 1
22 17 19 1
23 7 21 1 #Up
24 8 22 1
25 22 3 1
26 6 23 2
27 19 24 1 #Down
28 20 25 1
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