1.0 2010-04-08 22:13:41 UTC 2019-11-26 03:16:05 UTC FDB018383 Plastochromanol 8 Isolated from Medicago sativa (alfalfa) and other plants. Plastochromanol 8 is found in cereals and cereal products. Plastochromanol 8 C53H82O2 751.217 750.631481868 2,7,8-trimethyl-2-[(3Z,7Z,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaen-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol 2,7,8-trimethyl-2-[(3Z,7Z,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaen-1-yl]-3,4-dihydro-1-benzopyran-6-ol 4382-43-8 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2 InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33-,47-35- PTMZTTPJFDLIOR-HUZRKMAISA-N belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocopherols that contain a saturated trimethyltridecyl chain. Tocotrienols Organic compounds Lipids and lipid-like molecules Prenol lipids Quinone and hydroquinone lipids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds Polyterpenoids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromane Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyterpenoid Tocotrienol logp 10.20 ALOGPS logs -6.72 ALOGPS solubility 1.44e-04 g/l ALOGPS logp 17.08 ChemAxon pka_strongest_acidic 10.47 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2,7,8-trimethyl-2-[(3Z,7Z,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaen-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol ChemAxon average_mass 751.217 ChemAxon mono_mass 750.631481868 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CC\C(C)=C/CCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2 ChemAxon formula C53H82O2 ChemAxon inchi InChI=1S/C53H82O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-37-53(12)38-36-50-39-51(54)48(10)49(11)52(50)55-53/h21,23,25,27,29,31,33,35,39,54H,13-20,22,24,26,28,30,32,34,36-38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33-,47-35- ChemAxon inchikey PTMZTTPJFDLIOR-HUZRKMAISA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 251.9 ChemAxon polarizability 97.16 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 59938 Specdb::CMs 777721 Specdb::CMs 777722 Specdb::MsMs 77862 Specdb::MsMs 77863 Specdb::MsMs 77864 Specdb::MsMs 138090 Specdb::MsMs 138091 Specdb::MsMs 138092 Specdb::MsMs 2763088 Specdb::MsMs 2763089 Specdb::MsMs 2763090 Specdb::MsMs 2941999 Specdb::MsMs 2942000 Specdb::MsMs 2942001 HMDB38919 #<Reference:0x000055ce32cacf78> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic