1.0 2010-04-08 22:10:51 UTC 2025-11-19 00:29:27 UTC FDB013688 Cinncassiol D4 Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol D4 is found in herbs and spices. C20H32O5 352.4651 352.224974134 3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-4,6,9,14-tetrol 11-isopropyl-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-4,6,9,14-tetrol 84807-46-5 CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3 HYKMWLWHCAPOKZ-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 Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Hemiacetal Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Polyol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 0.94 ALOGPS logs -2.04 ALOGPS solubility 3.24e+00 g/l ALOGPS logp 0.73 ChemAxon pka_strongest_acidic 11.54 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-4,6,9,14-tetrol ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles CC(C)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/c1-9(2)11-6-13-16(4)8-19(23)17(11,5)20(13,24)15(25-19)14-10(3)12(21)7-18(14,16)22/h9-15,21-24H,6-8H2,1-5H3 ChemAxon inchikey HYKMWLWHCAPOKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 90.15 ChemAxon refractivity 91.19 ChemAxon polarizability 38.41 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14956 Specdb::CMs 44168 Specdb::CMs 137764 Specdb::CMs 145498 Specdb::MsMs 10994 Specdb::MsMs 10995 Specdb::MsMs 10996 Specdb::MsMs 17666 Specdb::MsMs 17667 Specdb::MsMs 17668 Specdb::MsMs 2806955 Specdb::MsMs 2806956 Specdb::MsMs 2806957 Specdb::MsMs 2898426 Specdb::MsMs 2898427 Specdb::MsMs 2898428 HMDB35064 #<Reference:0x000055ce3050d9b8> Herbs and Spices Unknown generic