COMPOUND: C22741
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Entry
C22741 Compound
Name
delta8-Tetrahydrocannabinol;
(6aR-trans)-6a,7,10,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.46
Structure
Mol file
KCF file
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Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Control Act Article 2 Table 1 (76 substances)
C22741
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Other DBs
CAS:
5957-75-5
PubChem:
497620096
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KCF data
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ATOM 23
1 C2x C 12.6126 -14.9249
2 C1y C 13.8038 -17.0270
3 C1y C 15.0651 -16.3263
4 C1x C 15.0651 -14.9249
5 C2y C 13.8038 -14.2242
6 C1z C 13.8038 -18.4284
7 O2x O 15.0651 -19.1291
8 C8y C 16.2563 -18.4284
9 C8y C 16.2563 -17.0270
10 C8x C 17.4475 -19.1291
11 C8y C 18.7087 -18.4284
12 C8x C 18.7087 -17.0270
13 C8y C 17.4475 -16.3263
14 C1b C 19.8999 -19.1291
15 C1b C 21.0911 -18.4284
16 C1b C 22.3524 -19.1291
17 C1b C 23.5436 -18.4284
18 C1a C 24.7348 -19.1291
19 C1a C 13.8038 -12.8228
20 O1a O 17.4475 -14.9249
21 C1x C 12.6126 -16.3263
22 C1a C 13.8038 -20.3184
23 C1a C 12.5914 -19.1284
BOND 25
1 2 3 1
2 3 4 1
3 4 5 1
4 1 5 2
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 5 19 1
21 13 20 1
22 1 21 1
23 21 2 1
24 6 22 1
25 6 23 1
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