1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:14 UTC FDB013204 Cinncassiol D1 Constituent of cinnamomi cortex, the dried bark of Cinnamomum cassia (Chiense cinnamon). Cinncassiol D1 is found in herbs and spices. C20H32O5 352.4651 352.224974134 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,9,14-triol 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,9,14-triol 77353-84-5 CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3 RZCWUZMNOGOMNA-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic heteropolycyclic compounds Cyclic alcohols and derivatives Hemiacetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxepanes Polyols Primary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Hemiacetal Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Polyol Primary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 1.16 ALOGPS logs -2.24 ALOGPS solubility 2.02e+00 g/l ALOGPS logp 0.52 ChemAxon pka_strongest_acidic 11.54 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,9,14-triol ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2CCC(C)(O)C42)C13C ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/c1-10(8-21)12-7-13-16(2)9-19(23)18(12,4)20(13,24)15(25-19)14-11(16)5-6-17(14,3)22/h10-15,21-24H,5-9H2,1-4H3 ChemAxon inchikey RZCWUZMNOGOMNA-UHFFFAOYSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 91.72 ChemAxon polarizability 38.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16531 Specdb::CMs 43989 Specdb::CMs 137551 Specdb::CMs 145285 Specdb::MsMs 62313 Specdb::MsMs 62314 Specdb::MsMs 62315 Specdb::MsMs 119007 Specdb::MsMs 119008 Specdb::MsMs 119009 Specdb::MsMs 3047119 Specdb::MsMs 3047120 Specdb::MsMs 3047121 Specdb::MsMs 3096760 Specdb::MsMs 3096761 Specdb::MsMs 3096762 HMDB34676 #<Reference:0x000055ce30d2a1f0> Herbs and Spices Unknown generic