1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:24 UTC FDB015895 delta-Carotene-1,2-epoxide Isolated from delta tomatoes. delta-Carotene-1,2-epoxide is found in garden tomato and garden tomato (variety). 1',2'-Epoxy-1',2'-dihydro-e,y-carotene 1',2'-Epoxy-1',2'-dihydro-epsilon,psi-carotene d-Carotene-1,2-epoxide C40H56O 552.872 552.433116414 2,2-dimethyl-3-[(3Z,5E,7E,9E,11Z,13E,15E,17E,19Z,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-2-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane 2,2-dimethyl-3-[(3Z,5E,7E,9E,11Z,13E,15E,17E,19Z,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-2-en-1-yl)docosa-3,5,7,9,11,13,15,17,19,21-decaen-1-yl]oxirane 58556-44-8 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\C1C(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/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24- CGHSLDCVYVQRJG-URLQBFNESA-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 -6.26 ALOGPS solubility 3.06e-04 g/l ALOGPS melting_point Mp 153-155° logp 10.59 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2,2-dimethyl-3-[(3Z,5E,7E,9E,11Z,13E,15E,17E,19Z,21E)-3,7,11,16,20-pentamethyl-22-(2,6,6-trimethylcyclohex-2-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\C1C(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/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24- ChemAxon inchikey CGHSLDCVYVQRJG-URLQBFNESA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 193.81 ChemAxon polarizability 72.53 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108258 Specdb::MsMs 108259 Specdb::MsMs 108260 Specdb::MsMs 175440 Specdb::MsMs 175441 Specdb::MsMs 175442 Specdb::MsMs 2683701 Specdb::MsMs 2683702 Specdb::MsMs 2683703 Specdb::MsMs 3021669 Specdb::MsMs 3021670 Specdb::MsMs 3021671 Specdb::CMs 21256 HMDB36926 #<Reference:0x000055ce30cbf0a8> Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755