COMPOUND: C15272
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Entry
C15272 Compound
Name
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate
Formula
C25H38O5
Exact mass
418.2719
Mol weight
418.5662
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396269
ChEBI:
79774
NIKKAJI:
J2.792.296A
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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 C1x 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 C1y C 26.6754 -18.1667
14 C1y C 28.9189 -18.1608
15 C1x 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 27.7243 -17.7518
21 O5a O 27.9686 -15.7657
22 O7a O 21.0654 -22.7100
23 C7a C 19.8470 -21.9986
24 C1a C 18.6640 -22.6738
25 O6a O 19.8536 -20.5802
26 O7a O 26.6683 -16.8000
27 C7a C 25.4536 -16.1070
28 C1a C 24.2676 -16.8001
29 O6a O 25.4461 -14.7004
30 C1a C 30.2370 -16.4237
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 1
16 11 17 1
17 14 18 1 #Up
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 18 21 2
25 19 22 1 #Down
26 22 23 1
27 23 24 1
28 23 25 2
29 13 26 1 #Down
30 26 27 1
31 27 28 1
32 27 29 2
33 18 30 1
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