1.0 2010-04-08 22:14:19 UTC 2019-11-26 03:17:26 UTC FDB019381 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one Constituent of the famine food Agave americana. 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one is found in green vegetables. 5-Hydroxy-7-methoxy-2-tritriacontyl-4H-1-benzopyran-4-one, 9CI 5-Hydroxy-7-methoxy-2-tritriacontylchromone C43H74O4 655.0453 654.558710856 5-hydroxy-7-methoxy-2-tritriacontyl-4H-chromen-4-one 5-hydroxy-7-methoxy-2-tritriacontylchromen-4-one 144049-68-3 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(O)C=C(OC)C=C2O1 InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3 VCUFPKRXFVNKKD-UHFFFAOYSA-N belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. Chromones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pyranones and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Chromone Ether Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Pyran Pyranone Vinylogous acid logp 11.12 ALOGPS logs -7.69 ALOGPS solubility 1.33e-05 g/l ALOGPS melting_point Mp 83° logp 16.36 ChemAxon pka_strongest_acidic 8.58 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 5-hydroxy-7-methoxy-2-tritriacontyl-4H-chromen-4-one ChemAxon average_mass 655.0453 ChemAxon mono_mass 654.558710856 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=O)C2=C(O)C=C(OC)C=C2O1 ChemAxon formula C43H74O4 ChemAxon inchi InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3 ChemAxon inchikey VCUFPKRXFVNKKD-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 202.71 ChemAxon polarizability 88.92 ChemAxon rotatable_bond_count 33 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26106 Specdb::CMs 651672 Specdb::CMs 651673 Specdb::CMs 793991 Specdb::MsMs 46524 Specdb::MsMs 46525 Specdb::MsMs 46526 Specdb::MsMs 174174 Specdb::MsMs 174175 Specdb::MsMs 174176 Specdb::MsMs 2456436 Specdb::MsMs 2456437 Specdb::MsMs 2456438 Specdb::MsMs 2479201 Specdb::MsMs 2479202 Specdb::MsMs 2479203 HMDB39739 #<Reference:0x000055ce32438e78> Green vegetables Unknown generic