COMPOUND: C22743
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Entry
C22743 Compound
Name
delta3-Tetrahydrocannabinol;
7,8,9,10-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol;
delta6a(10a)-THC
Formula
C21H30O2
Exact mass
314.2246
Mol weight
314.46
Structure
Mol file
KCF file
DB search
Brite
Narcotics and psychotropics in Japan [
br08308.html
]
Narcotics by Cabinet Order Article 1 (163 substances)
C22743
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Other DBs
PubChem:
497620098
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KCF data
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ATOM 23
1 C1x C 12.6065 -14.9178
2 C1x C 12.6065 -16.3185
3 C2y C 13.7972 -17.0189
4 C2y C 15.0578 -16.3185
5 C1x C 15.0578 -14.9178
6 C1y C 13.7972 -14.2174
7 C1z C 13.7972 -18.4196
8 O2x O 15.0578 -19.1200
9 C8y C 16.2485 -18.4196
10 C8y C 16.2485 -17.0189
11 C8x C 17.4391 -19.1200
12 C8y C 18.6997 -18.4196
13 C8x C 18.6997 -17.0189
14 C8y C 17.4391 -16.3185
15 C1b C 19.8904 -19.1200
16 C1b C 21.0810 -18.4196
17 C1b C 22.3417 -19.1200
18 C1b C 23.5323 -18.4196
19 C1a C 24.7229 -19.1200
20 C1a C 13.7972 -12.8166
21 O1a O 17.4391 -14.9178
22 C1a C 12.5848 -19.1196
23 C1a C 13.7972 -20.2396
BOND 25
1 1 2 1
2 2 3 1
3 3 4 2
4 5 6 1
5 1 6 1
6 3 7 1
7 7 8 1
8 8 9 1
9 9 10 2
10 4 10 1
11 9 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 10 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 6 20 1
22 14 21 1
23 4 5 1
24 7 22 1
25 7 23 1
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