1.0 2010-04-08 22:11:31 UTC 2019-11-26 03:10:51 UTC FDB014876 12'-Apo-b-carotene-3,12'-diol Constituent of peaches (Prunus persica). 12'-Apo-b-carotene-3,12'-diol is found in fruits. C25H36O2 368.5521 368.271530396 4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 120021-87-6 C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- XVQDCCGQSOTQBN-RXCALXPUSA-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 homomonocyclic compounds Hydrocarbon derivatives Long-chain fatty alcohols Primary alcohols Secondary alcohols Alcohol Aliphatic homomonocyclic compound Diterpenoid Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 5.84 ALOGPS logs -4.95 ALOGPS solubility 4.12e-03 g/l ALOGPS logp 4.61 ChemAxon pka_strongest_acidic 16.76 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 368.5521 ChemAxon mono_mass 368.271530396 ChemAxon smiles C\C(CO)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CC(O)CC1(C)C ChemAxon formula C25H36O2 ChemAxon inchi InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- ChemAxon inchikey XVQDCCGQSOTQBN-RXCALXPUSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 124.51 ChemAxon polarizability 46.64 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15369 Specdb::CMs 44704 Specdb::CMs 133862 Specdb::CMs 141596 Specdb::MsMs 89832 Specdb::MsMs 89833 Specdb::MsMs 89834 Specdb::MsMs 152841 Specdb::MsMs 152842 Specdb::MsMs 152843 Specdb::MsMs 3041803 Specdb::MsMs 3041804 Specdb::MsMs 3041805 Specdb::MsMs 3097996 Specdb::MsMs 3097997 Specdb::MsMs 3097998 HMDB36054 #<Reference:0x000055ce30e9cc40> Fruits Unknown generic