1.0 2010-04-08 22:11:01 UTC 2025-11-19 00:40:55 UTC FDB013985 (5R,5'R,6S,8'R)-Luteochrome Constituent of Ipomoea batatas (sweet potato). (5R,5'R,6S,8'R)-Luteochrome is found in root vegetables and potato. C40H56O2 568.8714 568.428031036 4,4,7a-trimethyl-2-[(2Z,4E,6E,8Z,10E,12E,14Z,16Z)-6,11,15-trimethyl-17-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,5,6,7,7a-hexahydro-1-benzofuran 4,4,7a-trimethyl-2-[(2Z,4E,6E,8Z,10E,12E,14Z,16Z)-6,11,15-trimethyl-17-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran C/C(/C=C/C=C(/C)\C=C/C12OC1(C)CCCC2(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1 InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22- HSOIPJLINDKQOV-VCAYJPBHSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic heteropolycyclic compounds Benzofurans Dialkyl ethers Dihydrofurans Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxepanes Aliphatic heteropolycyclic compound Benzofuran Dialkyl ether Dihydrofuran Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Xanthophyll logp 9.59 ALOGPS logs -6.51 ALOGPS solubility 1.76e-04 g/l ALOGPS melting_point Mp 170-171° logp 9.91 ChemAxon pka_strongest_basic -4 ChemAxon iupac 4,4,7a-trimethyl-2-[(2Z,4E,6E,8Z,10E,12E,14Z,16Z)-6,11,15-trimethyl-17-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,5,6,7,7a-hexahydro-1-benzofuran ChemAxon average_mass 568.8714 ChemAxon mono_mass 568.428031036 ChemAxon smiles C/C(/C=C/C=C(/C)\C=C/C12OC1(C)CCCC2(C)C)=C\C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CCCC(C)(C)C2=C1 ChemAxon formula C40H56O2 ChemAxon inchi InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22- ChemAxon inchikey HSOIPJLINDKQOV-VCAYJPBHSA-N ChemAxon polar_surface_area 21.76 ChemAxon refractivity 188.95 ChemAxon polarizability 72.14 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14499 Specdb::MsMs 83157 Specdb::MsMs 83158 Specdb::MsMs 83159 Specdb::MsMs 144693 Specdb::MsMs 144694 Specdb::MsMs 144695 Specdb::MsMs 2829007 Specdb::MsMs 2829008 Specdb::MsMs 2829009 Specdb::MsMs 2853463 Specdb::MsMs 2853464 Specdb::MsMs 2853465 HMDB0035316 Potato Type 1 specific Solanum tuberosum 4113 Root vegetables Unknown generic