1.0 2010-04-08 22:05:19 UTC 2019-11-26 02:57:19 UTC FDB002322 Macrophorin A Production by Macrophoma fruit rot of apple. Macrophorin A is found in pomes. 2-deoxy-2-fluoroglucopyranosyl Fluoride C22H32O4 360.4871 360.230059512 1-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one 1-[(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one 85754-70-7 CC1(C)CCCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12 InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3 OOIYDCZXWGFDDL-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Cyclohexenones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteropolycyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Cyclohexenone Dialkyl ether Ether Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Oxirane Primary alcohol Secondary alcohol logp 3.02 ALOGPS logs -4.03 ALOGPS solubility 3.37e-02 g/l ALOGPS melting_point Mp 127-128° logp 3.13 ChemAxon pka_strongest_acidic 13.18 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-[(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methyl]-5-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one ChemAxon average_mass 360.4871 ChemAxon mono_mass 360.230059512 ChemAxon smiles CC1(C)CCCC2(C)C(CC34OC3C(O)C(CO)=CC4=O)C(=C)CCC12 ChemAxon formula C22H32O4 ChemAxon inchi InChI=1S/C22H32O4/c1-13-6-7-16-20(2,3)8-5-9-21(16,4)15(13)11-22-17(24)10-14(12-23)18(25)19(22)26-22/h10,15-16,18-19,23,25H,1,5-9,11-12H2,2-4H3 ChemAxon inchikey OOIYDCZXWGFDDL-UHFFFAOYSA-N ChemAxon polar_surface_area 70.06 ChemAxon refractivity 100.66 ChemAxon polarizability 40.47 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26308 Specdb::CMs 41936 Specdb::CMs 173854 Specdb::MsMs 104913 Specdb::MsMs 104914 Specdb::MsMs 104915 Specdb::MsMs 171285 Specdb::MsMs 171286 Specdb::MsMs 171287 Specdb::MsMs 2718015 Specdb::MsMs 2718016 Specdb::MsMs 2718017 Specdb::MsMs 2964006 Specdb::MsMs 2964007 Specdb::MsMs 2964008 HMDB30454 #<Reference:0x000055ce327507f0> Pomes Unknown generic