The Canbisol, with the CAS registry number 56689-43-1, is also known as Canbisolum. This chemical's molecular formula is C24H38O3 and molecular weight is 374.555. Its IUPAC name is called 6,6-dimethyl-3-(2-methyloctan-2-yl)-6α,7,8,9,10,10α-hexahydrobenzo[c]chromene-1,9-diol. Canbisol is mainly used in scientific research, in receptor binding studies to determine the structure and function of the cannabinoid receptors, but has been made illegal in some countries due to its possible abuse potential as a cannabinomimetic drug.
Physical properties of Canbisol: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.27; (5)ACD/BCF (pH 5.5): 199245.02; (6)ACD/BCF (pH 7.4): 198466.42; (7)ACD/KOC (pH 5.5): 216207.77; (8)ACD/KOC (pH 7.4): 215362.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.524; (13)Molar Refractivity: 110.87 cm3; (14)Molar Volume: 362.3 cm3; (15)Surface Tension: 37.8 dyne/cm; (16)Density: 1.033 g/cm3; (17)Flash Point: 231.8 °C; (18)Enthalpy of Vaporization: 75.88 kJ/mol; (19)Boiling Point: 459.7 °C at 760 mmHg; (20)Vapour Pressure: 3.03E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC(C)(C)C1=CC2=C(C3CC(CCC3C(O2)(C)C)O)C(=C1)O
(2)InChI: InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3
(3)InChIKey: UEKGZFCGRQYMRM-UHFFFAOYSA-N
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