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1-Deoxy-delta(8)-THC DMH ,1',2'-Dimethylheptyl-1-deoxy-delta(8

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摘 要:1-Deoxy-delta(8)-THC DMH ,1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol ,1-Deoxy-delta(8)-1',2'-dimethylheptyltetrahydrocannabinol ,105823-04-9, (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,,10a-tetrahydroben
[Synonyms]
1-Deoxy-delta(8)-THC DMH
1',2'-Dimethylheptyl-1-deoxy-delta(8)-tetrahydrocannabinol
1-Deoxy-delta(8)-1',2'-dimethylheptyltetrahydrocannabinol
105823-04-9

[Structure]
1-Deoxy-delta(8)-THC DMH ,1',2'-Dimethylheptyl-1-deoxy-delta(8

[ Properties Computed from Structure]
Molecular Weight354.56862 [g/mol]
Molecular FormulaC25H38O
XLogP7.3
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count6
Exact Mass354.292266
MonoIsotopic Mass354.292266
Topological Polar Surface Area9.2
Heavy Atom Count26
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,
10a-tetrahydrobenzo[c]chromene
Canonical SMILES: CCCCCCC(C)(C)C1=CC2=C(C=C1)C3CC(=CCC3C(O2)(C)C)C
Isomeric SMILES: CCCCCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C
InChI: InChI=1/C25H38O/c1-7-8-9-10-15-24(3,
4)19-12-13-20-21-16-18(2)11-14-22(21)25(5,6)26-23(20)17-19/h11-13,17,
21-22H,7-10,14-16H2,1-6H3/t21-,22+/m0/s1

 
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