COMPOUND: C21706
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Entry
C21706 Compound
Name
Pseudolaratriene;
(1RS,3aSR,8aRS)-3a,6-Dimethyl-1-(6-methylhepta-2,5-dien-2-yl)-1,2,3,3a,4,7,8,8a-octahydrohydroazulene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Mol file
KCF file
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Reaction
R11845
Enzyme
4.2.3.180
Other DBs
PubChem:
350078283
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KCF data
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ATOM 20
1 C1x C 17.0900 -14.2647
2 C1x C 18.1867 -13.4010
3 C1y C 19.5521 -13.7124
4 C1z C 20.1540 -14.9656
5 C2y C 17.0900 -15.6737
6 C1x C 19.5530 -16.2329
7 C2x C 18.1867 -16.5445
8 C1x C 21.5318 -14.7804
9 C1x C 21.7815 -13.4129
10 C1y C 20.5580 -12.7528
11 C1a C 15.8187 -16.2875
12 C1a C 20.8540 -16.1780
13 C2c C 20.5580 -11.3528
14 C2b C 21.7925 -10.6401
15 C1a C 19.3568 -10.6590
16 C1b C 22.9879 -11.3304
17 C2b C 24.1753 -10.6449
18 C2c C 25.3665 -11.3329
19 C1a C 26.5560 -10.6462
20 C1a C 25.3665 -12.7397
BOND 21
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 2
6 1 2 1
7 6 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 3 10 1
12 5 11 1
13 4 12 1 #Down
14 10 13 1
15 13 14 2
16 13 15 1
17 14 16 1
18 16 17 1
19 17 18 2
20 18 19 1
21 18 20 1
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