1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:15 UTC FDB015808 Cinncassiol D3 Constituent of cinnamomi cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Cinncassiol D3 is found in herbs and spices. 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-4,6,9,14-tetrol 11-(1-hydroxypropan-2-yl)-3,7,10-trimethyl-15-oxapentacyclo[7.5.1.0²,⁶.0⁷,¹³.0¹⁰,¹⁴]pentadecane-4,6,9,14-tetrol 80178-41-2 CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3 HQUSKUTUDDZKOD-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 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 Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp -0.14 ALOGPS logs -1.66 ALOGPS solubility 8.09e+00 g/l ALOGPS logp -0.63 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-4,6,9,14-tetrol ChemAxon average_mass 368.4645 ChemAxon mono_mass 368.219888756 ChemAxon smiles CC(CO)C1CC2C3(O)C4OC(O)(CC2(C)C2(O)CC(O)C(C)C42)C13C ChemAxon formula C20H32O6 ChemAxon inchi InChI=1S/C20H32O6/c1-9(7-21)11-5-13-16(3)8-19(24)17(11,4)20(13,25)15(26-19)14-10(2)12(22)6-18(14,16)23/h9-15,21-25H,5-8H2,1-4H3 ChemAxon inchikey HQUSKUTUDDZKOD-UHFFFAOYSA-N ChemAxon polar_surface_area 110.38 ChemAxon refractivity 93.04 ChemAxon polarizability 39.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26461 Specdb::CMs 45078 Specdb::CMs 149428 Specdb::NmrOneD 137070 Specdb::NmrOneD 137071 Specdb::NmrOneD 137072 Specdb::NmrOneD 137073 Specdb::NmrOneD 137074 Specdb::NmrOneD 137075 Specdb::NmrOneD 137076 Specdb::NmrOneD 137077 Specdb::NmrOneD 137078 Specdb::NmrOneD 137079 Specdb::NmrOneD 137080 Specdb::NmrOneD 137081 Specdb::NmrOneD 137082 Specdb::NmrOneD 137083 Specdb::NmrOneD 137084 Specdb::NmrOneD 137085 Specdb::NmrOneD 137086 Specdb::NmrOneD 137087 Specdb::NmrOneD 137088 Specdb::NmrOneD 137089 Specdb::MsMs 43431 Specdb::MsMs 43432 Specdb::MsMs 43433 Specdb::MsMs 172302 Specdb::MsMs 172303 Specdb::MsMs 172304 Specdb::MsMs 2359538 Specdb::MsMs 2359539 Specdb::MsMs 2359540 Specdb::MsMs 2606053 Specdb::MsMs 2606054 Specdb::MsMs 2606055 HMDB36854 #<Reference:0x000055ce324bb990> Herbs and Spices Unknown generic