1.0 2010-04-08 22:12:04 UTC 2019-11-26 03:12:15 UTC FDB015813 Cinncassiol C3 Constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C3 is found in herbs and spices. C20H30O7 382.448 382.199153314 2,6,9,11-tetrahydroxy-1,5,10-trimethyl-11-(propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadecane-13,15-dione 2,6,9,11-tetrahydroxy-11-isopropyl-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadecane-13,15-dione 64979-94-8 CC(C)C1(O)CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3 IJPNDQQOKFKBRG-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 0.38 ALOGPS logs -1.33 ALOGPS solubility 1.79e+01 g/l ALOGPS melting_point Mp 221-222° logp 1.33 ChemAxon pka_strongest_acidic 11.33 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2,6,9,11-tetrahydroxy-1,5,10-trimethyl-11-(propan-2-yl)-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadecane-13,15-dione ChemAxon average_mass 382.448 ChemAxon mono_mass 382.199153314 ChemAxon smiles CC(C)C1(O)CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C ChemAxon formula C20H30O7 ChemAxon inchi InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3 ChemAxon inchikey IJPNDQQOKFKBRG-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 94.15 ChemAxon polarizability 39.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 137150 Specdb::NmrOneD 137151 Specdb::NmrOneD 137152 Specdb::NmrOneD 137153 Specdb::NmrOneD 137154 Specdb::NmrOneD 137155 Specdb::NmrOneD 137156 Specdb::NmrOneD 137157 Specdb::NmrOneD 137158 Specdb::NmrOneD 137159 Specdb::NmrOneD 137160 Specdb::NmrOneD 137161 Specdb::NmrOneD 137162 Specdb::NmrOneD 137163 Specdb::NmrOneD 137164 Specdb::NmrOneD 137165 Specdb::NmrOneD 137166 Specdb::NmrOneD 137167 Specdb::NmrOneD 137168 Specdb::NmrOneD 137169 Specdb::CMs 10464 Specdb::CMs 45082 Specdb::CMs 155029 Specdb::MsMs 55386 Specdb::MsMs 55387 Specdb::MsMs 55388 Specdb::MsMs 110526 Specdb::MsMs 110527 Specdb::MsMs 110528 Specdb::MsMs 2299005 Specdb::MsMs 2299006 Specdb::MsMs 2299007 Specdb::MsMs 2639497 Specdb::MsMs 2639498 Specdb::MsMs 2639499 HMDB36859 #<Reference:0x000055ce33050828> Herbs and Spices Unknown generic