COMPOUND: C14996
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Entry
C14996 Compound
Name
12-(2,3-Dihydroxycyclopentyl)-2-dodecanone
Formula
C17H32O3
Exact mass
284.2351
Mol weight
284.4342
Structure
Mol file
KCF file
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Other DBs
PubChem:
17395993
ChEBI:
79519
NIKKAJI:
J2.791.494B
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KCF data
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ATOM 20
1 C1y C 32.3781 -25.1218
2 C1y C 31.2543 -25.9495
3 C1x C 31.6944 -27.2741
4 C1x C 33.0901 -27.3347
5 C1y C 33.5125 -25.9347
6 O1a O 32.3685 -23.7556
7 O1a O 29.8980 -25.5192
8 C1b C 34.7424 -25.2000
9 C1b C 35.9549 -25.9000
10 C1b C 37.1673 -25.2000
11 C1b C 38.3797 -25.9000
12 C1b C 39.5922 -25.2000
13 C1b C 40.8046 -25.9000
14 C1b C 42.0170 -25.2000
15 C1b C 43.2295 -25.9000
16 C1b C 44.4419 -25.2000
17 C1b C 45.6544 -25.9000
18 C5a C 46.8668 -25.2000
19 C1a C 48.0792 -25.9000
20 O5a O 46.8668 -23.8004
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 18 20 2
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