1.0 2010-04-08 22:13:25 UTC 2018-05-29 01:34:10 UTC FDB017951 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone Production by Fusarium equiseti 1-((4-Hydroxybenzylidene)amino)-1,3-dihydro-2H-indol-2-one 3'-N-Acetyl-4'-O-(14-methylpentadecanoyl)fusarochromanone C33H52N2O6 572.7758 572.382537406 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl 14-methylpentadecanoate 4-(5-amino-2,2-dimethyl-4-oxo-3H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl 14-methylpentadecanoate 136762-45-3 CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36) PTECXARPZZIJIP-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 2,2-dimethyl-1-benzopyrans Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds Acetamides Alkyl aryl ethers Amino acids and derivatives Aryl alkyl ketones Butyrophenones Carboxylic acid esters Chromones Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Primary amines Secondary carboxylic acid amides Vinylogous amides 2,2-dimethyl-1-benzopyran Acetamide Alkyl aryl ether Amine Amino acid or derivatives Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Butyrophenone Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Chromone Ether Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary amine Secondary carboxylic acid amide Vinylogous amide logp 6.41 ALOGPS logs -6.60 ALOGPS solubility 1.45e-04 g/l ALOGPS logp 7.3 ChemAxon pka_strongest_acidic 13.97 ChemAxon pka_strongest_basic 0.47 ChemAxon iupac 4-(5-amino-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)-2-acetamido-4-oxobutyl 14-methylpentadecanoate ChemAxon average_mass 572.7758 ChemAxon mono_mass 572.382537406 ChemAxon smiles CC(C)CCCCCCCCCCCCC(=O)OCC(CC(=O)C1=CC=C2OC(C)(C)CC(=O)C2=C1N)NC(C)=O ChemAxon formula C33H52N2O6 ChemAxon inchi InChI=1S/C33H52N2O6/c1-23(2)16-14-12-10-8-6-7-9-11-13-15-17-30(39)40-22-25(35-24(3)36)20-27(37)26-18-19-29-31(32(26)34)28(38)21-33(4,5)41-29/h18-19,23,25H,6-17,20-22,34H2,1-5H3,(H,35,36) ChemAxon inchikey PTECXARPZZIJIP-UHFFFAOYSA-N ChemAxon polar_surface_area 124.79 ChemAxon refractivity 162.23 ChemAxon polarizability 69.29 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10284 Specdb::MsMs 62409 Specdb::MsMs 62410 Specdb::MsMs 62411 Specdb::MsMs 119124 Specdb::MsMs 119125 Specdb::MsMs 119126 Specdb::MsMs 2323669 Specdb::MsMs 2323670 Specdb::MsMs 2323671 Specdb::MsMs 2615406 Specdb::MsMs 2615407 Specdb::MsMs 2615408 HMDB38564 #<Reference:0x000055ce32885120>