COMPOUND: C15302
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Entry
C15302 Compound
Name
11beta,17,21-Trihydroxy-2alpha-methylpregn-4-ene-3,20-dione 21-acetate;
17-Hydroxy-2alpha-methylcorticosterone 21-acetate;
2alpha-Methylcortisol acetate
Formula
C24H34O6
Exact mass
418.2355
Mol weight
418.52
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396299
ChEBI:
79804
NIKKAJI:
J2.793.747K
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KCF data
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ATOM 30
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 C1y 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 C2y 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 C1z C 28.9189 -18.1608
15 C1x C 30.0261 -18.8077
16 C2x C 23.3715 -22.6536
17 C1y C 22.2876 -20.7423
18 C5a C 28.9189 -16.9021
19 C5x C 22.2876 -22.0126
20 C1b C 30.0087 -16.2845
21 C1a C 27.7943 -17.4018
22 O5x O 21.0654 -22.7100
23 O5a O 27.6886 -16.1857
24 O7a O 31.2426 -17.0098
25 C7a C 32.4431 -16.3289
26 C1a C 33.6173 -17.0189
27 O6a O 32.3845 -14.9107
28 O1a O 24.3453 -18.1167
29 O1a O 30.2712 -17.9384
30 C1a C 21.0439 -20.0264
BOND 33
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 1
17 14 18 1 #Up
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 1
22 14 15 1
23 17 19 1
24 7 21 1 #Up
25 19 22 2
26 18 23 2
27 20 24 1
28 24 25 1
29 25 26 1
30 25 27 2
31 6 28 1 #Up
32 14 29 1 #Down
33 17 30 1 #Down
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