COMPOUND: C14642
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Entry
C14642 Compound
Name
Melengestrol acetate;
17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate;
17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione
Formula
C25H32O4
Exact mass
396.2301
Mol weight
396.5192
Structure
Mol file
KCF file
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Remark
Same as:
D04900
Other DBs
CAS:
2919-66-6
PubChem:
17395642
ChEBI:
34831
NIKKAJI:
J7.935I
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All DBs
KCF data
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ATOM 29
1 C1x C 20.6833 -20.0040
2 C5x C 20.6833 -21.3284
3 C2x C 21.8301 -21.9905
4 C2y C 22.9769 -21.3284
5 C1z C 22.9769 -20.0040
6 C1x C 21.8301 -19.3420
7 C2y C 24.1238 -21.9905
8 C2x C 25.2706 -21.3284
9 C1y C 25.2706 -20.0040
10 C1y C 24.1238 -19.3420
11 C1y C 26.4175 -19.3420
12 C1z C 26.4175 -18.0178
13 C1x C 25.2706 -17.3558
14 C1x C 24.1238 -18.0178
15 C1x C 28.7110 -19.3420
16 C2y C 28.7110 -18.0178
17 C1z C 27.5641 -17.3558
18 C1a C 26.4438 -16.6936
19 C1a C 22.9739 -18.6417
20 C1a C 24.1238 -23.3436
21 O5x O 19.4958 -22.0143
22 C5a C 27.5642 -16.0126
23 O5a O 28.7499 -15.3280
24 C1a C 26.4140 -15.3483
25 C2a C 29.8883 -17.3378
26 O7a O 29.8785 -15.9397
27 C7a C 31.2272 -15.9397
28 O6a O 31.9043 -17.1126
29 C1a C 31.8997 -14.7748
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
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 5 19 1 #Up
23 7 20 1
24 2 21 2
25 17 22 1 #Up
26 22 23 2
27 22 24 1
28 16 25 2
29 17 26 1 #Down
30 26 27 1
31 27 28 2
32 27 29 1
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