1.0 2010-04-08 22:05:41 UTC 2019-11-26 02:58:35 UTC FDB003187 Mucoxin Constituent of Rollinia mucosa (biriba). Mucoxin is found in alcoholic beverages and fruits. Betalgil Emoren Mucaine Muthesa Oxaethacainum Oxaine Oxetacain Oxetacaina Oxetacaine Oxetacaine (inn) Oxetacainum Oxethacaina Oxethacaine Oxethazaine Oxethazaine (JP15/USAN) Oxethazaine [usan:ban:jan] Oxethazine Robercain r Stomacain Strocain Strocain (TN) Tepilta Therap cat: local anesthetic Topicain C37H66O7 622.9157 622.480854466 3-(6-hydroxy-6-{5-[3-hydroxy-5-(1-hydroxyoctadecyl)oxolan-2-yl]oxolan-2-yl}hexyl)-5-methyl-2,5-dihydrofuran-2-one 3-(6-hydroxy-6-{5-[3-hydroxy-5-(1-hydroxyoctadecyl)oxolan-2-yl]oxolan-2-yl}hexyl)-5-methyl-5H-furan-2-one 183195-99-5 CCCCCCCCCCCCCCCCCC(O)C1CC(O)C(O1)C1CCC(O1)C(O)CCCCCC1=CC(C)OC1=O InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3 DVOUJRUFCBNRQW-UHFFFAOYSA-N belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Annonaceous acetogenins Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds Butenolides C-glycosyl compounds Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton C-glycosyl compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Glycosyl compound Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 7.18 ALOGPS logs -6.05 ALOGPS solubility 5.58e-04 g/l ALOGPS logp 8.92 ChemAxon pka_strongest_acidic 13.64 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-(6-hydroxy-6-{5-[3-hydroxy-5-(1-hydroxyoctadecyl)oxolan-2-yl]oxolan-2-yl}hexyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 622.9157 ChemAxon mono_mass 622.480854466 ChemAxon smiles CCCCCCCCCCCCCCCCCC(O)C1CC(O)C(O1)C1CCC(O1)C(O)CCCCCC1=CC(C)OC1=O ChemAxon formula C37H66O7 ChemAxon inchi InChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-31(39)35-27-32(40)36(44-35)34-25-24-33(43-34)30(38)22-20-17-18-21-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3 ChemAxon inchikey DVOUJRUFCBNRQW-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 176.04 ChemAxon polarizability 77.69 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13010 Specdb::CMs 42378 Specdb::CMs 547312 Specdb::CMs 547313 Specdb::CMs 547314 Specdb::CMs 547315 Specdb::CMs 547316 Specdb::CMs 547317 Specdb::CMs 547318 Specdb::CMs 547319 Specdb::CMs 547320 Specdb::CMs 547321 Specdb::CMs 547322 Specdb::CMs 547323 Specdb::CMs 792849 Specdb::MsMs 66318 Specdb::MsMs 66319 Specdb::MsMs 66320 Specdb::MsMs 123846 Specdb::MsMs 123847 Specdb::MsMs 123848 Specdb::MsMs 2349508 Specdb::MsMs 2349509 Specdb::MsMs 2349510 Specdb::MsMs 2588848 Specdb::MsMs 2588849 Specdb::MsMs 2588850 HMDB31171 #<Reference:0x000055ce3037f768> Alcoholic beverages Unknown generic Fruits Unknown generic