1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:04 UTC FDB014449 Cylindrin Cylindrin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Cylindrin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cylindrin can be found in rice, which makes cylindrin a potential biomarker for the consumption of this food product. 3b-Methoxy-9(11)-arborinene Cylindrin C31H52O 440.744 440.401816286 (1S,2S,5S,6S,9S,10R,14S)-17-methoxy-2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-12-ene (1S,2S,5S,6S,9S,10R,14S)-6-isopropyl-17-methoxy-2,5,10,14,18,18-hexamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-12-ene 17904-55-1 COC1CCC2(C)C(CCC3C2=CCC2(C)C4CCC(C(C)C)C4(C)CCC32C)C1(C)C InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3 MRNPHCMRIQYRFU-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids melting_point Mp 269-270° logp 8.03 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (1S,2S,5S,6S,9S,10R,14S)-17-methoxy-2,5,10,14,18,18-hexamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-12-ene ChemAxon average_mass 440.744 ChemAxon mono_mass 440.401816286 ChemAxon smiles COC1CCC2(C)C(CCC3C2=CCC2(C)C4CCC(C(C)C)C4(C)CCC32C)C1(C)C ChemAxon formula C31H52O ChemAxon inchi InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3 ChemAxon inchikey MRNPHCMRIQYRFU-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 136.73 ChemAxon polarizability 56.86 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Rice Type 1 specific Oryza sativa 4530