COMPOUND: C15333
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Entry
C15333 Compound
Name
3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
Formula
C23H32O4
Exact mass
372.2301
Mol weight
372.4978
Structure
Mol file
KCF file
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Other DBs
CAS:
4970-39-2
PubChem:
17396330
ChEBI:
79835
NIKKAJI:
J203.211B
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KCF data
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ATOM 27
1 C1y C 26.6870 -20.7306
2 C1y C 25.5683 -20.0954
3 C1y C 27.7943 -20.0837
4 C1x C 26.6637 -22.0009
5 C1z C 24.4728 -20.7423
6 C5x C 25.5624 -18.8134
7 C1z C 27.7943 -18.8018
8 C1x C 30.0204 -20.0896
9 C1x C 25.5800 -22.6419
10 C1y C 24.4728 -22.0126
11 C1x C 23.3715 -20.1130
12 C1a C 24.4552 -19.2680
13 C1x C 26.6754 -18.1667
14 C2y C 28.9189 -18.1608
15 C2x C 30.0261 -18.8077
16 C1x C 23.3715 -22.6536
17 C1x C 22.2876 -20.7423
18 C5a C 28.9189 -16.9021
19 C1y C 22.2876 -22.0126
20 C1a C 30.0087 -16.2845
21 C1a C 27.7943 -17.4018
22 O5x O 24.3453 -18.1167
23 O5a O 27.6886 -16.1857
24 O7a O 21.0654 -22.7100
25 C7a C 19.8470 -21.9986
26 C1a C 18.6640 -22.6738
27 O6a O 19.8536 -20.5802
BOND 30
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 1
16 11 17 1
17 14 18 1
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 1
22 14 15 2
23 17 19 1
24 7 21 1 #Up
25 6 22 2
26 18 23 2
27 19 24 1 #Down
28 24 25 1
29 25 26 1
30 25 27 2
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