1.0 2010-04-08 22:04:49 UTC 2019-11-26 02:55:53 UTC FDB001075 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene Isolated from tomatoes (Lycopersicon esculentum). 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene is found in garden tomato. 1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-y,y-carotene C40H64O 560.9356 560.49571667 3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane 3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane 51599-11-2 CC(C)CCC\C(C)=C\CC\C(C)=C\C=C/C(/C)=C\C=C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+ DAYCXLCMSBTHAA-RVWKVOMOSA-N belongs to the class of organic compounds known as sesquaterpenoids. These are terpenoids with at least 7 consecutive isoprene units. Sesquaterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquaterpenoids 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 Sesquaterpenoid logp 10.28 ALOGPS logs -6.58 ALOGPS solubility 1.48e-04 g/l ALOGPS logp 12.44 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(3E,7E,11Z,13E,15Z,17Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,11,13,15,17,19,23-octaen-1-yl]-2,2-dimethyloxirane ChemAxon average_mass 560.9356 ChemAxon mono_mass 560.49571667 ChemAxon smiles CC(C)CCC\C(C)=C\CC\C(C)=C\C=C/C(/C)=C\C=C\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C ChemAxon formula C40H64O ChemAxon inchi InChI=1S/C40H64O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14,19-20,22,24-26,29,32,39H,13,15-18,21,23,27-28,30-31H2,1-10H3/b12-11+,22-14-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+ ChemAxon inchikey DAYCXLCMSBTHAA-RVWKVOMOSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 192.44 ChemAxon polarizability 74.71 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17334 Specdb::MsMs 94932 Specdb::MsMs 94933 Specdb::MsMs 94934 Specdb::MsMs 159075 Specdb::MsMs 159076 Specdb::MsMs 159077 Specdb::MsMs 2823299 Specdb::MsMs 2823300 Specdb::MsMs 2823301 Specdb::MsMs 2859230 Specdb::MsMs 2859231 Specdb::MsMs 2859232 HMDB29854 #<Reference:0x000055ce3354ec58> Garden tomato Type 1 specific Solanum lycopersicum 4081