1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:51 UTC FDB001770 (5R,5'R,6S,6'S)-5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene (5r,5'r,6s,6's)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene is a member of the class of compounds known as xanthophylls. Xanthophylls 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 (5r,5'r,6s,6's)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (5r,5'r,6s,6's)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene can be found in sweet potato, which makes (5r,5'r,6s,6's)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene a potential biomarker for the consumption of this food product. C40H56O2 568.8714 568.428031036 (1S,6R)-2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptane (1S,6R)-2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptane 34222-90-7 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C InChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-29-39-35(5,6)25-15-27-37(39,9)41-39)17-11-12-18-32(2)20-14-22-34(4)24-30-40-36(7,8)26-16-28-38(40,10)42-40/h11-14,17-24,29-30H,15-16,25-28H2,1-10H3/b12-11+,19-13+,20-14+,29-23+,30-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,39+,40+/m1/s1 JMZDCQZKLCHTFI-HPLZOGFXSA-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 Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Oxepanes Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Xanthophyll logp 9.56 ALOGPS logs -6.76 ALOGPS solubility 9.83e-05 g/l ALOGPS logp 10.18 ChemAxon pka_strongest_basic -4 ChemAxon iupac (1S,6R)-2,2,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S,6R)-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptane ChemAxon average_mass 568.8714 ChemAxon mono_mass 568.428031036 ChemAxon smiles C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C ChemAxon formula C40H56O2 ChemAxon inchi InChI=1S/C40H56O2/c1-31(19-13-21-33(3)23-29-39-35(5,6)25-15-27-37(39,9)41-39)17-11-12-18-32(2)20-14-22-34(4)24-30-40-36(7,8)26-16-28-38(40,10)42-40/h11-14,17-24,29-30H,15-16,25-28H2,1-10H3/b12-11+,19-13+,20-14+,29-23+,30-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,39+,40+/m1/s1 ChemAxon inchikey JMZDCQZKLCHTFI-HPLZOGFXSA-N ChemAxon polar_surface_area 25.06 ChemAxon refractivity 189.08 ChemAxon polarizability 73.02 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88527 Specdb::MsMs 88528 Specdb::MsMs 88529 Specdb::MsMs 151269 Specdb::MsMs 151270 Specdb::MsMs 151271 Sweet potato Type 1 specific Ipomoea batatas 4120