3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo(b,d)pyran-1,9-diol
Basic information
- CAS
56689-43-1- Standard SMILES
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(O)CC21- InChIKey
UEKGZFCGRQYMRM-UHFFFAOYSA-N- Molecular formula
- C24H38O3
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.28209507
Names & identifiers
- Preferred name
- 3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo(b,d)pyran-1,9-diol
- IUPAC
- 6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
- English name
- Canbisol
- Molecular formula
- C24H38O3
- Molecular weight
- 374.56
Names & synonyms
CANBISOLNabidrox56689-43-1NZ1ZPC4WSFDTXSID00866582RefChem:1066356DTXCID802128813-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo(b,d)pyran-1,9-diolCanbisol [INN]6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diolCanbisolumUNII-NZ1ZPC4WSF
Show more names
Nabidrox (Canbisol, Dihydronabilone)3-(1,1-Dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-6H-dibenzo[b,d]pyran-1,9-diol6H-Dibenzo[b,d]pyran-1,9-diol,3-(1,1-diMethylheptyl)-6a,7,8,9,10,10a-hexahydro-6,6-diMethyl-
Lilly 106990SCHEMBL2109880CHEMBL2105525NS00125618Q14521943(+-)-3-(1,1-Dimethylheptyl)-6abeta,7,8,9,10,10aalpha-hexahydro-6,6-dimethyl-6H-dibenzo(b,d)pyran-1,9-diol(+/-)-3-(1,1-DIMETHYLHEPTYL)-6A.BETA.,7,8,9,10,10A.ALPHA.-HEXAHYDRO-6,6-DIMETHYL-6H-DIBENZO(B,D)PYRAN-1,9-DIOL6,6-Dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-1,9-diol
Database identifiers
- CAS
56689-43-1
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Density
- 1.033 · 1.033
- FDA UNII
- 1 ZPC4WSF · NZ1ZPC4WSF
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Compound notes
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