COMPOUND: C22751
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Entry
C22751 Compound
Name
Cannabicyclohexanol;
2-[(1R,3S)-3-Hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
Formula
C22H36O2
Exact mass
332.2715
Mol weight
332.52
Structure
Mol file
KCF file
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Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22751
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Other DBs
CAS:
70434-92-3
PubChem:
497620106
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KCF data
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ATOM 24
1 C1x C 10.7800 -14.3500
2 C1x C 10.7800 -15.7500
3 C1x C 11.9924 -16.4500
4 C1y C 13.2049 -15.7500
5 C1x C 13.2049 -14.3500
6 C1y C 11.9924 -13.6500
7 C8y C 14.4173 -16.4500
8 C8y C 15.6297 -15.7500
9 O1a O 15.6297 -14.3500
10 C8x C 14.4173 -17.8500
11 C8x C 15.6297 -18.5500
12 C8y C 16.8422 -17.8500
13 C8x C 16.8422 -16.4500
14 C1d C 18.0546 -18.5500
15 C1b C 19.2670 -17.8500
16 C1b C 20.4795 -18.5500
17 C1b C 21.6919 -17.8500
18 C1b C 22.9044 -18.5500
19 C1b C 24.1168 -17.8500
20 C1b C 25.3292 -18.5500
21 C1a C 26.5417 -17.8500
22 C1a C 17.3546 -19.7624
23 C1a C 18.7546 -19.7624
24 O1a O 11.9924 -12.2500
BOND 25
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 2
9 8 9 1
10 7 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 14 22 1
24 14 23 1
25 6 24 1 #Down
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