COMPOUND: C21670
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Entry
C21670 Compound
Name
Tsukubadiene;
(1S,3aS,5Z,7aS,10aR,11Z)-1,5,8,8,10a-Pentamethyl-2,3,3a,4,7,7a,8,9,10,10a-decahydro-1H-dicyclopenta[a,d][9]annulene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol file
KCF file
DB search
Reaction
R11824
Enzyme
4.2.3.159
Other DBs
PubChem:
350078247
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KCF data
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ATOM 20
1 C1y C 18.4100 -13.7200
2 C1x C 17.5700 -12.6700
3 C1z C 18.4100 -15.1200
4 C2x C 16.1700 -12.3900
5 C2x C 17.5700 -16.1700
6 C2y C 14.9100 -13.0900
7 C2y C 16.1700 -16.4500
8 C1x C 14.4900 -14.4200
9 C1y C 14.9100 -15.7500
10 C1x C 19.7415 -15.5526
11 C1x C 20.5644 -14.4200
12 C1z C 19.7415 -13.2874
13 C1x C 13.8549 -16.7320
14 C1x C 14.4628 -18.0390
15 C1y C 15.8936 -17.8647
16 C1a C 13.8256 -12.2045
17 C1a C 19.7415 -11.8874
18 C1a C 20.7314 -12.2974
19 C1a C 18.7723 -16.4723
20 C1a C 16.8385 -18.8797
BOND 22
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 2
6 5 7 2
7 6 8 1
8 7 9 1
9 8 9 1
10 3 10 1
11 10 11 1
12 11 12 1
13 1 12 1
14 9 13 1
15 13 14 1
16 14 15 1
17 7 15 1
18 6 16 1
19 12 17 1
20 12 18 1
21 3 19 1 #Up
22 15 20 1 #Up
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