COMPOUND: C15467
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Entry
C15467 Compound
Name
6beta,17-Dihydroxy-3,5-cyclo-5alpha,17alpha-pregn-20-ene-21-carboxylic acid, gamma-lactone
Formula
C22H30O3
Exact mass
342.2195
Mol weight
342.4718
Structure
Mol file
KCF file
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CAS:
7247-99-6
PubChem:
17396464
ChEBI:
79964
NIKKAJI:
J2.794.631C
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KCF data
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ATOM 25
1 C1y C 29.1040 -21.5854
2 C1y C 27.9622 -20.9432
3 C1y C 30.2458 -20.9432
4 C1x C 29.1040 -22.8700
5 C1z C 26.8917 -21.5854
6 C1x C 27.9622 -19.6586
7 C1z C 30.2458 -19.6586
8 C1x C 32.5294 -20.9432
9 C1y C 27.9622 -23.5123
10 C1z C 26.8917 -22.8700
11 C1x C 25.7499 -20.9432
12 C1a C 26.8203 -20.0868
13 C1x C 29.1040 -19.0164
14 C1z C 31.3876 -18.9449
15 C1x C 32.5294 -19.6586
16 C1x C 25.7499 -23.5836
17 C1x C 24.6080 -21.5854
18 C1y C 24.6080 -22.8700
19 C1a C 29.4608 -18.3027
20 C2x C 30.6027 -16.7327
21 C2x C 30.1744 -18.0885
22 O7x O 32.4581 -18.0885
23 C7x C 32.0299 -16.7327
24 O6a O 32.8736 -15.5815
25 O1a O 28.0108 -24.9087
BOND 30
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 18 16 1
18 7 13 1
19 9 10 1
20 14 15 1
21 17 18 1
22 7 19 1 #Up
23 20 21 2
24 14 21 1 #Down
25 14 22 1 #Up
26 22 23 1
27 20 23 1
28 23 24 2
29 18 10 1
30 9 25 1 #Up
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