1.0 2010-04-08 22:15:44 UTC 2025-11-19 02:38:13 UTC FDB021501 cis-Annonacin-10-one Constituent of the seeds of Annona muricata (soursop). cis-Annonacin-10-one is found in fruits. cis-Annonacin-10-one C35H62O7 594.8626 594.449554338 3-{2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl}-4-methyl-2,5-dihydrofuran-2-one 3-{2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl}-4-methyl-5H-furan-2-one 172488-91-4 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=C(C)COC1=O InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h29,31-34,37-39H,3-26H2,1-2H3 HGGYZUZQVNVDDD-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds Butenolides Dialkyl ethers Enoate esters Hydrocarbon derivatives Ketones Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Ketone Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 6.14 ALOGPS logs -5.71 ALOGPS solubility 1.16e-03 g/l ALOGPS melting_point Mp 70° logp 7.74 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-{2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl}-4-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 594.8626 ChemAxon mono_mass 594.449554338 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCC(=O)CCCCCC(O)CC1=C(C)COC1=O ChemAxon formula C35H62O7 ChemAxon inchi InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h29,31-34,37-39H,3-26H2,1-2H3 ChemAxon inchikey HGGYZUZQVNVDDD-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 168.18 ChemAxon polarizability 73.31 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 316921 Specdb::MsMs 316922 Specdb::MsMs 316923 Specdb::MsMs 363292 Specdb::MsMs 363293 Specdb::MsMs 363294 Specdb::MsMs 2843028 Specdb::MsMs 2843029 Specdb::MsMs 2843030 Specdb::MsMs 2865375 Specdb::MsMs 2865376 Specdb::MsMs 2865377 Specdb::CMs 22930 Specdb::CMs 47369 Specdb::CMs 283022 Specdb::CMs 444385 Specdb::CMs 444386 Specdb::CMs 444387 Specdb::CMs 444388 Specdb::CMs 444389 Specdb::CMs 444390 Specdb::CMs 444391 Specdb::CMs 444392 Specdb::CMs 444393 Specdb::CMs 444394 Specdb::CMs 444395 Specdb::CMs 444396 Specdb::CMs 444397 Specdb::CMs 444398 Specdb::CMs 444399 Specdb::CMs 444400 Specdb::CMs 444401 Specdb::CMs 444402 Specdb::CMs 444403 Specdb::CMs 444404 Specdb::CMs 444405 Specdb::CMs 444406 HMDB0041524 Fruits Unknown generic