COMPOUND: C15046
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Entry
C15046 Compound
Name
Pregna-5,16,20-triene-3beta,20-diol diacetate
Formula
C25H34O4
Exact mass
398.2457
Mol weight
398.5351
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396043
ChEBI:
79566
NIKKAJI:
J1.427.169D
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KCF data
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ATOM 29
1 C1y C 22.4870 -18.1406
2 C1y C 21.3683 -17.5054
3 C1y C 23.5943 -17.4937
4 C1x C 22.4637 -19.4109
5 C1z C 20.2728 -18.1523
6 C1x C 21.3624 -16.2234
7 C1z C 23.5943 -16.2118
8 C1x C 25.8204 -17.4996
9 C2x C 21.3800 -20.0519
10 C2y C 20.2728 -19.4226
11 C1x C 19.1715 -17.5230
12 C1a C 20.2552 -16.6780
13 C1x C 22.4754 -15.5767
14 C2y C 24.7189 -15.5708
15 C2x C 25.8261 -16.2177
16 C1x C 19.1715 -20.0636
17 C1x C 18.0876 -18.1523
18 C2c C 24.7189 -14.3121
19 C1y C 18.0876 -19.4226
20 C1a C 23.5943 -14.8118
21 O7a O 16.8654 -20.1200
22 C7a C 15.6470 -19.4086
23 C1a C 14.4640 -20.0838
24 O6a O 15.6536 -17.9902
25 O7a O 25.9383 -13.6083
26 C2a C 23.4859 -13.6006
27 C7a C 27.1615 -14.3151
28 C1a C 28.3579 -13.6254
29 O6a O 27.1607 -15.7500
BOND 32
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 7 13 1
20 9 10 2
21 14 15 2
22 17 19 1
23 7 20 1 #Up
24 19 21 1 #Up
25 21 22 1
26 22 23 1
27 22 24 2
28 18 25 1
29 18 26 2
30 25 27 1
31 27 28 1
32 27 29 2
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