COMPOUND: C22744
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Entry
C22744 Compound
Name
1R-trans-delta4-Tetrahydrocannabinol;
(9R,10aR)-8,9,10,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol;
(9R,10aR)-delta6a,7-Tetrahydrocannabinol
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)
C22744
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Other DBs
CAS:
59042-44-3
PubChem:
497620099
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KCF data
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ATOM 23
1 C1x C 12.6042 -14.9151
2 C2x C 12.6042 -16.3155
3 C2y C 13.7947 -17.0158
4 C1y C 15.0550 -16.3155
5 C1x C 15.0550 -14.9151
6 C1y C 13.7947 -14.2148
7 C1z C 13.7947 -18.4162
8 O2x O 15.0550 -19.1164
9 C8y C 16.2455 -18.4162
10 C8y C 16.2455 -17.0158
11 C8x C 17.4359 -19.1164
12 C8y C 18.6962 -18.4162
13 C8x C 18.6962 -17.0158
14 C8y C 17.4359 -16.3155
15 C1b C 19.8867 -19.1164
16 C1b C 21.0771 -18.4162
17 C1b C 22.3375 -19.1164
18 C1b C 23.5279 -18.4162
19 C1a C 24.7183 -19.1164
20 O1a O 17.4359 -14.9151
21 C1a C 13.7774 -12.8076
22 C1a C 13.7947 -20.0962
23 C1a C 12.5822 -19.1162
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 4 10 1
12 9 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 12 15 1
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 14 20 1
23 6 21 1 #Up
24 7 22 1
25 7 23 1
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