COMPOUND: C20412
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Entry
C20412 Compound
Name
3,22-Dimethyl-1,2,23,24-tetradehydro-2,3,22,23-tetrahydrosqualene
Formula
C32H54
Exact mass
438.4226
Mol weight
438.77
Structure
Mol file
KCF file
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Reaction
R10168
R10169
Enzyme
2.1.1.262
Other DBs
PubChem:
163312149
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KCF data
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ATOM 32
1 C2c C 5.8890 -16.5366
2 C1c C 7.1021 -15.8362
3 C1b C 8.3152 -16.5366
4 C1b C 9.5282 -15.8362
5 C2c C 10.7412 -16.5366
6 C2b C 11.9544 -15.8362
7 C1b C 13.1674 -16.5366
8 C1b C 14.3804 -15.8362
9 C2c C 15.5936 -16.5366
10 C2b C 16.8065 -15.8362
11 C1b C 18.0197 -16.5366
12 C1b C 19.2327 -15.8362
13 C2b C 20.4457 -16.5366
14 C2c C 21.6589 -15.8362
15 C1b C 22.8719 -16.5366
16 C1b C 24.0849 -15.8362
17 C2b C 25.2980 -16.5366
18 C2c C 26.5110 -15.8362
19 C1b C 27.7240 -16.5366
20 C1b C 28.9372 -15.8362
21 C1c C 30.1502 -16.5366
22 C1a C 4.6761 -15.8362
23 C2a C 5.8890 -17.9372
24 C2c C 31.3415 -15.8485
25 C1a C 32.5273 -16.5329
26 C2a C 31.3416 -14.4358
27 C1a C 10.7412 -17.9371
28 C1a C 15.5936 -17.9369
29 C1a C 21.6589 -14.4355
30 C1a C 26.5110 -14.4359
31 C1a C 7.1014 -14.4117
32 C1a C 30.1506 -17.9199
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 2
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 1 22 1
22 1 23 2
23 21 24 1
24 24 25 1
25 24 26 2
26 5 27 1
27 9 28 1
28 14 29 1
29 18 30 1
30 2 31 1
31 21 32 1
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