1.0 2010-04-08 22:13:06 UTC 2025-11-19 01:54:36 UTC FDB017461 Rosmadial Constituent of Rosmarinus officinalis (rosemary). Rosmadial is found in many foods, some of which are herbs and spices, cloves, nutmeg, and common sage. (-)-Rosmadial C20H24O5 344.4016 344.162373878 7-hydroxy-3',3'-dimethyl-2-oxo-6-(propan-2-yl)-2H-spiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde 7-hydroxy-6-isopropyl-3',3'-dimethyl-2-oxospiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde 85514-31-4 CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C=O)C(=O)O2 InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3 JBWRHBJFAVSAMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aromatic heteropolycyclic compounds Aryl-aldehydes Benzenoids Carboxylic acid esters Coumarans Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzofuran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Coumaran Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.76 ALOGPS logs -4.32 ALOGPS solubility 1.64e-02 g/l ALOGPS melting_point Mp 225° logp 4.37 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 7-hydroxy-3',3'-dimethyl-2-oxo-6-(propan-2-yl)-2H-spiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde ChemAxon average_mass 344.4016 ChemAxon mono_mass 344.162373878 ChemAxon smiles CC(C)C1=C(O)C2=C(C(C=O)=C1)C1(CCCC(C)(C)C1C=O)C(=O)O2 ChemAxon formula C20H24O5 ChemAxon inchi InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3 ChemAxon inchikey JBWRHBJFAVSAMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 94.02 ChemAxon polarizability 36.73 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22277 Specdb::CMs 45731 Specdb::CMs 130567 Specdb::CMs 138301 Specdb::MsMs 78879 Specdb::MsMs 78880 Specdb::MsMs 78881 Specdb::MsMs 139359 Specdb::MsMs 139360 Specdb::MsMs 139361 Specdb::MsMs 2675233 Specdb::MsMs 2675234 Specdb::MsMs 2675235 Specdb::MsMs 3033482 Specdb::MsMs 3033483 Specdb::MsMs 3033484 HMDB38219 #<Reference:0x000055ce305ac7c0> Caraway Type 1 specific Carum carvi 48032 0.0 0.0 0.0 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 0.0 0.0 0.0 mg/100 g Cloves Type 1 specific Syzygium aromaticum 219868 0.0 0.0 0.0 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 Cumin Type 1 specific Cuminum cyminum 52462 0.0 0.0 0.0 mg/100 g Ginger Type 1 specific Zingiber officinale 94328 0.0 0.0 0.0 mg/100 g Herbs and Spices Unknown generic Nutmeg Type 1 specific Myristica fragrans 51089 0.0 0.0 0.0 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 0.0 0.0 0.0 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 3.0 3.0 3.0 mg/100 g Star anise Type 1 specific Illicium verum 124778 0.0 0.0 0.0 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 0.0 0.0 0.0 mg/100 g Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.