COMPOUND: C22742
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Entry
C22742 Compound
Name
(1S,3R,4R)-delta5-Tetrahydrocannabinol;
(6aR,9S,10aR)-delta7-Tetrahydrocannabinol;
(6aR,9S,10aR)-6a,9,10,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.4617
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (157 substances)
C22742
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CAS:
162678-94-6
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KCF data
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ATOM 23
1 C2x C 12.5986 -14.9084
2 C1y C 13.7885 -17.0082
3 C1y C 15.0484 -16.3083
4 C1x C 15.0484 -14.9084
5 C1y C 13.7885 -14.2085
6 C1z C 13.7885 -18.4081
7 O2x O 15.0484 -19.1080
8 C8y C 16.2383 -18.4081
9 C8y C 16.2383 -17.0082
10 C8x C 17.4281 -19.1080
11 C8y C 18.6880 -18.4081
12 C8x C 18.6880 -17.0082
13 C8y C 17.4281 -16.3083
14 C1b C 19.8779 -19.1080
15 C1b C 21.0678 -18.4081
16 C1b C 22.3277 -19.1080
17 C1b C 23.5176 -18.4081
18 C1a C 24.7075 -19.1080
19 O1a O 17.4281 -14.9084
20 C2x C 12.5986 -16.3083
21 C1a C 13.7885 -12.8085
22 C1a C 13.7885 -20.2281
23 C1a C 12.5761 -19.1081
BOND 25
1 2 3 1
2 3 4 1
3 4 5 1
4 1 5 1
5 2 6 1
6 6 7 1
7 7 8 1
8 8 9 2
9 3 9 1
10 8 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 9 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 19 1
21 1 20 2
22 20 2 1
23 5 21 1 #Up
24 6 22 1
25 6 23 1
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