COMPOUND: C15173
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Entry
C15173 Compound
Name
3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;
(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester
Formula
C23H37O5P
Exact mass
424.2379
Mol weight
424.5106
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396170
ChEBI:
79691
NIKKAJI:
J2.793.250I
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KCF data
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ATOM 29
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 C2x 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 C1y C 28.9189 -18.1608
15 C1y 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 O5a O 27.6886 -16.1857
23 O1a O 21.0654 -22.7100
24 P1b P 31.4261 -18.8077
25 O1c O 32.8261 -18.8077
26 O2b O 31.4261 -20.2077
27 O1c O 31.4261 -17.4077
28 C1b C 32.6511 -20.9148
29 C1a C 33.8335 -20.2319
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 #Up
18 16 19 1
19 18 20 1
20 7 13 1
21 9 10 2
22 14 15 1
23 17 19 1
24 7 21 1 #Up
25 18 22 2
26 19 23 1 #Up
27 15 24 1
28 24 25 1
29 24 26 1
30 24 27 2
31 26 28 1
32 28 29 1
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