1.0 2010-04-08 22:14:06 UTC 2019-11-26 03:17:01 UTC FDB019052 Muricin H Constituent of the seeds of Annona muricata (soursop). Muricin H is found in fruits. C35H64O6 580.8791 580.47028978 5-methyl-3-{12-[5-(1,6,7-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-2,5-dihydrofuran-2-one 5-methyl-3-{12-[5-(1,6,7-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-5H-furan-2-one CCCCCCCC(O)C(O)CCCCC(O)C1CCC(CCCCCCCCCCCCC2=CC(C)OC2=O)O1 InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3 LZWAOCORLSBLAU-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 7.61 ALOGPS logs -6.06 ALOGPS solubility 5.01e-04 g/l ALOGPS logp 9.09 ChemAxon pka_strongest_acidic 13.71 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-methyl-3-{12-[5-(1,6,7-trihydroxytetradecyl)oxolan-2-yl]dodecyl}-2,5-dihydrofuran-2-one ChemAxon average_mass 580.8791 ChemAxon mono_mass 580.47028978 ChemAxon smiles CCCCCCCC(O)C(O)CCCCC(O)C1CCC(CCCCCCCCCCCCC2=CC(C)OC2=O)O1 ChemAxon formula C35H64O6 ChemAxon inchi InChI=1S/C35H64O6/c1-3-4-5-12-17-22-31(36)32(37)23-18-19-24-33(38)34-26-25-30(41-34)21-16-14-11-9-7-6-8-10-13-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3 ChemAxon inchikey LZWAOCORLSBLAU-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 167.67 ChemAxon polarizability 74.01 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20084 Specdb::CMs 46416 Specdb::CMs 282561 Specdb::CMs 398540 Specdb::CMs 398541 Specdb::CMs 398542 Specdb::CMs 398543 Specdb::CMs 398544 Specdb::CMs 398545 Specdb::CMs 398546 Specdb::CMs 398547 Specdb::CMs 398548 Specdb::CMs 398549 Specdb::CMs 398550 Specdb::CMs 398551 Specdb::MsMs 71697 Specdb::MsMs 71698 Specdb::MsMs 71699 Specdb::MsMs 130416 Specdb::MsMs 130417 Specdb::MsMs 130418 Specdb::MsMs 2782099 Specdb::MsMs 2782100 Specdb::MsMs 2782101 Specdb::MsMs 2927185 Specdb::MsMs 2927186 Specdb::MsMs 2927187 HMDB39453 #<Reference:0x000055ce31d452b0> Fruits Unknown generic