1.0 2010-04-08 22:05:24 UTC 2025-11-18 22:37:55 UTC FDB002503 (S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene Isolated from fruits of Delta tomato mutant (Lycopersicon esculentum). (S)-1',2'-Epoxy-1',2'-dihydro-b,y-carotene is found in garden tomato. C40H56O 552.872 552.433116414 2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-1-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane 2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-1-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane 92008-21-4 C\C(CCC1OC1(C)C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+ SELMQMFULRQVFS-AACGPBLISA-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 heteromonocyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Xanthophyll logp 9.59 ALOGPS logs -6.21 ALOGPS solubility 3.39e-04 g/l ALOGPS melting_point Mp 142-143° logp 10.55 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,2-dimethyl-3-[(3E,5E,7E,9E,11E,13E,15E,17E,19E,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-1-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane ChemAxon average_mass 552.872 ChemAxon mono_mass 552.433116414 ChemAxon smiles C\C(CCC1OC1(C)C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C ChemAxon formula C40H56O ChemAxon inchi InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-24,26,28,38H,16,25,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17+,32-18+,33-21+,34-23+,35-24+ ChemAxon inchikey SELMQMFULRQVFS-AACGPBLISA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 193.55 ChemAxon polarizability 73.7 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25956 Specdb::MsMs 45726 Specdb::MsMs 45727 Specdb::MsMs 45728 Specdb::MsMs 163908 Specdb::MsMs 163909 Specdb::MsMs 163910 Specdb::MsMs 2756605 Specdb::MsMs 2756606 Specdb::MsMs 2756607 Specdb::MsMs 2948796 Specdb::MsMs 2948797 Specdb::MsMs 2948798 HMDB30607 #<Reference:0x000055ce3226a560> Garden tomato Type 1 specific Solanum lycopersicum 4081