1.0 2010-04-08 22:10:35 UTC 2025-11-18 23:42:15 UTC FDB013206 Cinncassiol D2 Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol D2 is found in herbs and spices. Cinncassiol D2 C20H32O6 368.4645 368.219888756 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,6,9,14-tetrol 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-3,6,9,14-tetrol 77751-33-8 CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3 SHKTYUCWKCFSRV-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 0.29 ALOGPS logs -1.69 ALOGPS solubility 7.58e+00 g/l ALOGPS logp -0.38 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-3,6,9,14-tetrol ChemAxon average_mass 368.4645 ChemAxon mono_mass 368.219888756 ChemAxon smiles CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CCC(C)(O)C42)C13C ChemAxon formula C20H32O6 ChemAxon inchi InChI=1S/C20H32O6/c1-10(8-21)11-7-12-15(2)9-19(24)17(11,4)20(12,25)14(26-19)13-16(3,22)5-6-18(13,15)23/h10-14,21-25H,5-9H2,1-4H3 ChemAxon inchikey SHKTYUCWKCFSRV-UHFFFAOYSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 92.89 ChemAxon polarizability 39.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10306 Specdb::CMs 43991 Specdb::CMs 134284 Specdb::CMs 142018 Specdb::MsMs 72063 Specdb::MsMs 72064 Specdb::MsMs 72065 Specdb::MsMs 130866 Specdb::MsMs 130867 Specdb::MsMs 130868 Specdb::MsMs 2264257 Specdb::MsMs 2264258 Specdb::MsMs 2264259 Specdb::MsMs 3075216 Specdb::MsMs 3075217 Specdb::MsMs 3075218 Specdb::NmrOneD 127158 Specdb::NmrOneD 127159 Specdb::NmrOneD 127160 Specdb::NmrOneD 127161 Specdb::NmrOneD 127162 Specdb::NmrOneD 127163 Specdb::NmrOneD 127164 Specdb::NmrOneD 127165 Specdb::NmrOneD 127166 Specdb::NmrOneD 127167 Specdb::NmrOneD 127168 Specdb::NmrOneD 127169 Specdb::NmrOneD 127170 Specdb::NmrOneD 127171 Specdb::NmrOneD 127172 Specdb::NmrOneD 127173 Specdb::NmrOneD 127174 Specdb::NmrOneD 127175 Specdb::NmrOneD 127176 Specdb::NmrOneD 127177 HMDB34678 #<Reference:0x000055ce2d84aca0> Herbs and Spices Unknown generic