1.0 2010-04-08 22:12:14 UTC 2025-11-19 01:44:00 UTC FDB016110 Muricin B Constituent of the seeds of Annona muricata (soursop). Muricin B is found in fruits. Muricin B C35H64O7 596.8785 596.465204402 3-{2-hydroxy-12-[5-(1,8,9-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-5-methyl-2,5-dihydrofuran-2-one 3-{2-hydroxy-12-[5-(1,8,9-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-5-methyl-5H-furan-2-one CCCCCC(O)C(O)CCCCCCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C35H64O7/c1-3-4-13-20-31(37)32(38)21-16-11-12-17-22-33(39)34-24-23-30(42-34)19-15-10-8-6-5-7-9-14-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 HHCQNIINSIODRY-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 Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran logp 6.41 ALOGPS logs -5.60 ALOGPS solubility 1.51e-03 g/l ALOGPS logp 7.71 ChemAxon pka_strongest_acidic 13.7 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-{2-hydroxy-12-[5-(1,8,9-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 596.8785 ChemAxon mono_mass 596.465204402 ChemAxon smiles CCCCCC(O)C(O)CCCCCCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C35H64O7 ChemAxon inchi InChI=1S/C35H64O7/c1-3-4-13-20-31(37)32(38)21-16-11-12-17-22-33(39)34-24-23-30(42-34)19-15-10-8-6-5-7-9-14-18-29(36)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3 ChemAxon inchikey HHCQNIINSIODRY-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 169.34 ChemAxon polarizability 74.72 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45111 Specdb::MsMs 45112 Specdb::MsMs 45113 Specdb::MsMs 151053 Specdb::MsMs 151054 Specdb::MsMs 151055 Specdb::MsMs 2354278 Specdb::MsMs 2354279 Specdb::MsMs 2354280 Specdb::MsMs 2607465 Specdb::MsMs 2607466 Specdb::MsMs 2607467 Specdb::CMs 24095 Specdb::CMs 45154 Specdb::CMs 456153 Specdb::CMs 456154 Specdb::CMs 456155 Specdb::CMs 456156 Specdb::CMs 456157 Specdb::CMs 456158 Specdb::CMs 456159 Specdb::CMs 456160 Specdb::CMs 456161 Specdb::CMs 456162 Specdb::CMs 456163 Specdb::CMs 456164 Specdb::CMs 456165 Specdb::CMs 456166 Specdb::CMs 456167 Specdb::CMs 456168 Specdb::CMs 456169 Specdb::CMs 456170 Specdb::CMs 456171 Specdb::CMs 456172 Specdb::CMs 456173 Specdb::CMs 456174 Specdb::CMs 456175 HMDB36977 #<Reference:0x000055ce31daabd8> Fruits Unknown generic