1.0 2010-04-08 22:10:55 UTC 2025-11-19 00:36:01 UTC FDB013807 Cinncassiol C2 Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C2 is found in herbs and spices. Cinncassiol C2 C20H28O6 364.4327 364.188588628 2,6,9-trihydroxy-1,5,10-trimethyl-11-(propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 2,6,9-trihydroxy-11-isopropyl-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 73599-14-1 CC(C)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3 GUZTTZMSRBAQKX-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 Furanones Hemiacetals Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans 3-furanone Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic alcohol Hemiacetal Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 1.21 ALOGPS logs -1.95 ALOGPS solubility 4.09e+00 g/l ALOGPS melting_point Mp 219-221° logp 2.21 ChemAxon pka_strongest_acidic 11.35 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2,6,9-trihydroxy-1,5,10-trimethyl-11-(propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione ChemAxon average_mass 364.4327 ChemAxon mono_mass 364.188588628 ChemAxon smiles CC(C)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C ChemAxon formula C20H28O6 ChemAxon inchi InChI=1S/C20H28O6/c1-10(2)12-8-13(21)16(4)9-19(25)17(12,5)15(23)20(26-19)14(22)11(3)6-7-18(16,20)24/h8,10-11,14,22,24-25H,6-7,9H2,1-5H3 ChemAxon inchikey GUZTTZMSRBAQKX-UHFFFAOYSA-N ChemAxon polar_surface_area 104.06 ChemAxon refractivity 93.68 ChemAxon polarizability 38.03 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19017 Specdb::CMs 44231 Specdb::CMs 167040 Specdb::MsMs 104883 Specdb::MsMs 104884 Specdb::MsMs 104885 Specdb::MsMs 171246 Specdb::MsMs 171247 Specdb::MsMs 171248 Specdb::MsMs 2411608 Specdb::MsMs 2411609 Specdb::MsMs 2411610 Specdb::MsMs 2550609 Specdb::MsMs 2550610 Specdb::MsMs 2550611 Specdb::NmrOneD 130258 Specdb::NmrOneD 130259 Specdb::NmrOneD 130260 Specdb::NmrOneD 130261 Specdb::NmrOneD 130262 Specdb::NmrOneD 130263 Specdb::NmrOneD 130264 Specdb::NmrOneD 130265 Specdb::NmrOneD 130266 Specdb::NmrOneD 130267 Specdb::NmrOneD 130268 Specdb::NmrOneD 130269 Specdb::NmrOneD 130270 Specdb::NmrOneD 130271 Specdb::NmrOneD 130272 Specdb::NmrOneD 130273 Specdb::NmrOneD 130274 Specdb::NmrOneD 130275 Specdb::NmrOneD 130276 Specdb::NmrOneD 130277 HMDB35168 #<Reference:0x000055ce32b5c1f0> Herbs and Spices Unknown generic