1.0 2010-04-08 22:04:49 UTC 2019-11-26 02:55:53 UTC FDB001074 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 C40H62O 558.9197 558.480066606 3-[(3E,7E,9Z,11Z,13E,15Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,19,23,27-nonaen-1-yl]-2,2-dimethyloxirane 3-[(3E,7E,9Z,11Z,13E,15Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,19,23,27-nonaen-1-yl]-2,2-dimethyloxirane 51598-36-8 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC1OC1(C)C InChI=1S/C40H62O/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/h11-12,15,18-20,23-26,29,39H,13-14,16-17,21-22,27-28,30-31H2,1-10H3/b12-11+,23-15-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+ URWDEZYCMUWBPQ-YOWDSOSNSA-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 9.65 ALOGPS logs -6.34 ALOGPS solubility 2.55e-04 g/l ALOGPS logp 12.04 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-[(3E,7E,9Z,11Z,13E,15Z,19E,23E)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,19,23,27-nonaen-1-yl]-2,2-dimethyloxirane ChemAxon average_mass 558.9197 ChemAxon mono_mass 558.480066606 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/C=C/C=C(/C)\C=C/C=C(\C)CC\C=C(/C)CCC1OC1(C)C ChemAxon formula C40H62O ChemAxon inchi InChI=1S/C40H62O/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/h11-12,15,18-20,23-26,29,39H,13-14,16-17,21-22,27-28,30-31H2,1-10H3/b12-11+,23-15-,33-19-,34-20-,35-24+,36-25+,37-26+,38-29+ ChemAxon inchikey URWDEZYCMUWBPQ-YOWDSOSNSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 193.29 ChemAxon polarizability 74 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20691 Specdb::MsMs 312076 Specdb::MsMs 312077 Specdb::MsMs 312078 Specdb::MsMs 357238 Specdb::MsMs 357239 Specdb::MsMs 357240 Specdb::MsMs 2843313 Specdb::MsMs 2843314 Specdb::MsMs 2843315 Specdb::MsMs 2865915 Specdb::MsMs 2865916 Specdb::MsMs 2865917 HMDB29853 #<Reference:0x000055ce32d66068> Garden tomato Type 1 specific Solanum lycopersicum 4081