COMPOUND: C22840
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Entry
C22840 Compound
Name
(5R,12R,14S)-Dolasta-1(15),8-diene;
(3aR,4aS,8aR)-3a,8a-Dimethyl-5-methylene-1-(propan-2-yl)-2,3,3a,4,4a,5,6,7,8,8a,9,10-dodecahydrobenzo[f]azulene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Mol file
KCF file
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Reaction
R13229
Enzyme
4.2.3.214
Other DBs
PubChem:
497620193
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KCF data
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ATOM 20
1 C1z C 16.6958 -15.9740
2 C1x C 17.3317 -14.7021
3 C1x C 18.6743 -14.3488
4 C2y C 19.8049 -15.1967
5 C1y C 17.3317 -17.2459
6 C1z C 19.8049 -16.6099
7 C1x C 18.7449 -17.5285
8 C1x C 21.1474 -17.0339
9 C1x C 21.9953 -15.8327
10 C2y C 21.1474 -14.7021
11 C1x C 15.2826 -15.9033
12 C1x C 14.5053 -17.0339
13 C1x C 15.1412 -18.3058
14 C2y C 16.5545 -18.3764
15 C1a C 20.4408 -18.0231
16 C1c C 21.5007 -13.3595
17 C1a C 22.8433 -13.0062
18 C1a C 20.5821 -12.2996
19 C2a C 17.2604 -19.8583
20 C1a C 15.9258 -14.6215
BOND 22
1 3 4 1
2 4 6 1
3 2 3 1
4 5 7 1
5 1 2 1
6 6 7 1
7 6 8 1
8 8 9 1
9 9 10 1
10 4 10 2
11 1 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 5 14 1
16 6 15 1 #Up
17 10 16 1
18 16 17 1
19 16 18 1
20 14 19 2
21 1 5 1
22 1 20 1 #Up
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