1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:15 UTC FDB018515 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol Isolated from Persea americana (avocado) and from Valencia orange juice. 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol is found in citrus and fruits. C27H38O3 410.5888 410.282095082 2-[(2Z,4E,6E,8E,10E,12E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10,12-hexaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol 2-[(2Z,4E,6E,8E,10E,12E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10,12-hexaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 53905-15-0 C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1 InChI=1S/C27H38O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-15,17,23-24,28-29H,16,18-19H2,1-6H3/b8-7+,13-9+,14-10+,20-11+,21-12+,22-15- OOJOUQLXWXASLN-TVICGMDOSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic heteropolycyclic compounds Benzofurans Cyclic alcohols and derivatives Dialkyl ethers Dihydrofurans Hydrocarbon derivatives Long-chain fatty alcohols Oxacyclic compounds Primary alcohols Secondary alcohols Alcohol Aliphatic heteropolycyclic compound Benzofuran Cyclic alcohol Dialkyl ether Dihydrofuran Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Sesterterpenoid logp 6.12 ALOGPS logs -4.97 ALOGPS solubility 4.42e-03 g/l ALOGPS logp 4.31 ChemAxon pka_strongest_acidic 15.09 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 2-[(2Z,4E,6E,8E,10E,12E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10,12-hexaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol ChemAxon average_mass 410.5888 ChemAxon mono_mass 410.282095082 ChemAxon smiles C\C(\C=C\CO)=C/C=C/C=C(\C)/C=C/C=C(/C)C1OC2(C)CC(O)CC(C)(C)C2=C1 ChemAxon formula C27H38O3 ChemAxon inchi InChI=1S/C27H38O3/c1-20(11-7-8-12-21(2)14-10-16-28)13-9-15-22(3)24-17-25-26(4,5)18-23(29)19-27(25,6)30-24/h7-15,17,23-24,28-29H,16,18-19H2,1-6H3/b8-7+,13-9+,14-10+,20-11+,21-12+,22-15- ChemAxon inchikey OOJOUQLXWXASLN-TVICGMDOSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 133.39 ChemAxon polarizability 49.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69504 Specdb::MsMs 69505 Specdb::MsMs 69506 Specdb::MsMs 127803 Specdb::MsMs 127804 Specdb::MsMs 127805 Specdb::MsMs 2274492 Specdb::MsMs 2274493 Specdb::MsMs 2274494 Specdb::MsMs 3090545 Specdb::MsMs 3090546 Specdb::MsMs 3090547 Specdb::CMs 23815 Specdb::CMs 46208 Specdb::CMs 162776 HMDB39020 #<Reference:0x000055ce3238e6f8> Citrus Unknown generic Fruits Unknown generic