COMPOUND: C22613
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Entry
C22613 Compound
Name
Neoverrucosan-5beta-ol;
(1aS,3R,3aS,5aR,8S,8aR,8bR,8cS)-1a,3a,5a-Trimethyl-8-(propan-2-yl)tetradecahydrocyclopenta[a]cyclopropa[h]naphthalen-3-ol
Formula
C20H34O
Exact mass
290.2610
Mol weight
290.48
Structure
Mol file
KCF file
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Reaction
R13100
Enzyme
4.2.3.207
Other DBs
PubChem:
497619972
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KCF data
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ATOM 21
1 C1z C 16.2886 -16.8142
2 C1y C 16.2886 -18.2216
3 C1x C 17.5073 -18.9253
4 C1z C 18.7262 -18.2216
5 C1y C 18.7262 -16.8142
6 C1y C 17.5073 -16.1106
7 C1x C 19.9450 -18.9253
8 C1x C 21.1637 -18.2216
9 C1z C 21.1637 -16.8142
10 C1y C 19.9450 -16.1106
11 C1x C 22.2097 -15.8725
12 C1x C 21.6372 -14.5868
13 C1y C 20.2376 -14.7340
14 C1c C 19.2767 -13.6672
15 C1a C 17.8732 -13.8960
16 C1a C 19.7137 -12.3210
17 C1x C 16.2886 -15.4069
18 C1a C 14.8812 -16.8142
19 O1a O 15.0698 -18.9253
20 C1a C 18.7262 -19.6289
21 C1a C 22.3826 -17.5179
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 6 17 1 #Up
20 1 17 1 #Up
21 1 18 1 #Down
22 2 19 1 #Up
23 4 20 1 #Down
24 9 21 1 #Up
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