COMPOUND: C22614
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Entry
C22614 Compound
Name
Verrucosan-2beta-ol;
(1S,3aR,5aS,6aR,7aR,8S,8aR,9bR)-1-(Propan=2-yl)tetradecahydrocyclopenta[a]cyclopropa[g]naphthalene-8-ol
Formula
C20H34O
Exact mass
290.2610
Mol weight
290.48
Structure
Mol file
KCF file
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Reaction
R13101
Enzyme
4.2.3.208
Other DBs
PubChem:
497619973
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KCF data
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ATOM 21
1 C1z C 16.1683 -16.7981
2 C1y C 16.1683 -18.1979
3 C1x C 17.3581 -18.8978
4 C1z C 18.6180 -18.1979
5 C1y C 18.6180 -16.7981
6 C1y C 17.3581 -16.0982
7 C1x C 19.8078 -18.8978
8 C1x C 20.9977 -18.1979
9 C1z C 20.9977 -16.7981
10 C1y C 19.8078 -16.0982
11 C1x C 22.0476 -15.8882
12 C1x C 21.4877 -14.5583
13 C1y C 20.0878 -14.6983
14 C1c C 19.1079 -13.6484
15 C1a C 17.7081 -13.7189
16 C1a C 19.5979 -12.3186
17 C1a C 18.6180 -19.5977
18 C1a C 22.2576 -17.4979
19 O1a O 17.3581 -14.7717
20 C1x C 14.9589 -17.4963
21 C1a C 15.4861 -15.6268
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 10 13 1
16 13 14 1 #Down
17 14 15 1
18 14 16 1
19 4 17 1 #Down
20 9 18 1 #Up
21 6 19 1 #Up
22 1 20 1 #Up
23 2 20 1 #Up
24 1 21 1 #Down
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