| CID | 57 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 1110 |
| pubchem_cactvs_hbond_acceptor | 1 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 23 |
| pubchem_cactvs_subskeys | AAADcfB8IAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASAmAAyBoAAAgCAAiBCAAACAAAgIAAIiAAGCIgIJiKCERKAcAAkwBEImAeAwKAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol |
| pubchem_iupac_cas_name | 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol |
| pubchem_iupac_systematic_name | 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol |
| pubchem_iupac_traditional_name | 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol |
| pubchem_nist_inchi | InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 638.542667 |
| pubchem_molecular_formula | C46H70O |
| pubchem_molecular_weight | 639.0474 |
| pubchem_openeye_can_smiles | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC=CC=C1O)C)C)C)C)C)C)C)C |
| pubchem_openeye_iso_smiles | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC=CC=C1O)C)C)C)C)C)C)C)C |
| pubchem_cactvs_tpsa | 20.2 |
| pubchem_monoisotopic_weight | 638.542667 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 47 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 7 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 3 |
| pubchem_bondannotations | 10 17 1
16 20 1
18 23 1
24 26 1
30 34 1
39 41 8
39 42 8
41 45 8
42 46 8
45 47 8
46 47 8
7 14 1
9 15 1 |
