1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:56 UTC FDB001786 Basilol Basilol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Basilol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Basilol can be found in sweet basil, which makes basilol a potential biomarker for the consumption of this food product. C37H52O4 560.8064 560.386560152 4-formylphenyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 4-formylphenyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 942591-86-8 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC1=CC=C(C=O)C=C1 InChI=1S/C37H52O4/c1-32(2)18-20-37(31(40)41-25-10-8-24(23-38)9-11-25)21-19-35(6)26(27(37)22-32)12-13-29-34(5)16-15-30(39)33(3,4)28(34)14-17-36(29,35)7/h8-12,23,27-30,39H,13-22H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1 CQHCJXYZMUYPIT-GBVPUKILSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aromatic homopolycyclic compounds Benzaldehydes Benzoyl derivatives Carboxylic acid esters Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenol esters Phenoxy compounds Secondary alcohols Alcohol Aldehyde Aromatic homopolycyclic compound Aryl-aldehyde Benzaldehyde Benzenoid Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ester Phenoxy compound Secondary alcohol Triterpenoid logp 7.22 ALOGPS logs -6.69 ALOGPS solubility 1.15e-04 g/l ALOGPS logp 8.11 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 4-formylphenyl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 560.8064 ChemAxon mono_mass 560.386560152 ChemAxon smiles [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC1=CC=C(C=O)C=C1 ChemAxon formula C37H52O4 ChemAxon inchi InChI=1S/C37H52O4/c1-32(2)18-20-37(31(40)41-25-10-8-24(23-38)9-11-25)21-19-35(6)26(27(37)22-32)12-13-29-34(5)16-15-30(39)33(3,4)28(34)14-17-36(29,35)7/h8-12,23,27-30,39H,13-22H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1 ChemAxon inchikey CQHCJXYZMUYPIT-GBVPUKILSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 164.76 ChemAxon polarizability 66.42 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99972 Specdb::MsMs 99973 Specdb::MsMs 99974 Specdb::MsMs 165198 Specdb::MsMs 165199 Specdb::MsMs 165200 Specdb::MsMs 3598465 Specdb::MsMs 3598466 Specdb::MsMs 3598467 Specdb::MsMs 3599678 Specdb::MsMs 3599679 Specdb::MsMs 3599680 Sweet basil Type 1 specific Ocimum basilicum 39350