COMPOUND: C14881
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Entry
C14881 Compound
Name
17-Hydroxy-3-oxo-19-nor-5alpha,17alpha-pregnane-21-carboxylic acid, gamma-lactone
Formula
C21H30O3
Exact mass
330.2195
Mol weight
330.4611
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395879
ChEBI:
79408
NIKKAJI:
J2.789.721E
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KCF data
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ATOM 24
1 C1x C 18.4748 -17.7902
2 C5x C 18.4748 -19.1792
3 C1x C 19.6554 -19.8042
4 C1y C 20.8361 -19.1792
5 C1y C 20.8361 -17.7902
6 C1x C 19.6554 -17.0957
7 C1x C 22.0167 -19.8042
8 C1x C 23.1975 -19.1792
9 C1y C 23.1975 -17.7902
10 C1y C 22.0167 -17.0957
11 C1y C 24.3781 -17.0957
12 C1z C 24.3781 -15.7761
13 C1x C 23.1975 -15.0816
14 C1x C 22.0167 -15.7761
15 C1x C 26.6699 -17.0957
16 C1x C 26.6699 -15.7761
17 C1z C 25.4893 -15.0816
18 O5x O 17.2941 -19.8042
19 C1x C 24.7948 -12.9287
20 C1x C 24.3781 -14.2482
21 O7x O 26.6005 -14.2482
22 C7x C 26.1838 -12.9287
23 O6a O 27.0049 -11.8084
24 C1a C 23.6836 -14.2955
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
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 2 18 2
22 19 20 1
23 17 20 1 #Down
24 17 21 1 #Up
25 21 22 1
26 19 22 1
27 22 23 2
28 12 24 1 #Up
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