1.0 2010-04-08 22:11:46 UTC 2019-11-26 03:11:25 UTC FDB015312 (3S,5R,8S)-Persicachrome Constituent of flesh of cling peaches (Prunus persica). (3S,5R,8S)-Persicachrome is found in fruits. C25H36O3 384.5515 384.266445018 2-[(2Z,4E,6E,8Z,10E)-12-hydroxy-6,11-dimethyldodeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol 2-[(2Z,4E,6E,8Z,10E)-12-hydroxy-6,11-dimethyldodeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 80931-31-3 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/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7-,12-9+,18-10+,19-11+,20-13- MLVPRCYREVPVES-KWTPPHGWSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids 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 Diterpenoid Ether Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol logp 5.54 ALOGPS logs -4.74 ALOGPS solubility 6.98e-03 g/l ALOGPS logp 3.79 ChemAxon pka_strongest_acidic 15.12 ChemAxon pka_strongest_basic -2 ChemAxon iupac 2-[(2Z,4E,6E,8Z,10E)-12-hydroxy-6,11-dimethyldodeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol ChemAxon average_mass 384.5515 ChemAxon mono_mass 384.266445018 ChemAxon smiles 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 C25H36O3 ChemAxon inchi InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7-,12-9+,18-10+,19-11+,20-13- ChemAxon inchikey MLVPRCYREVPVES-KWTPPHGWSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 123.08 ChemAxon polarizability 45.75 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24178 Specdb::CMs 44865 Specdb::CMs 168447 Specdb::MsMs 83988 Specdb::MsMs 83989 Specdb::MsMs 83990 Specdb::MsMs 145725 Specdb::MsMs 145726 Specdb::MsMs 145727 Specdb::MsMs 2347763 Specdb::MsMs 2347764 Specdb::MsMs 2347765 Specdb::MsMs 2587054 Specdb::MsMs 2587055 Specdb::MsMs 2587056 HMDB36425 #<Reference:0x000055ce331031d0> Fruits Unknown generic