1.0 2010-04-08 22:10:55 UTC 2025-11-19 00:35:58 UTC FDB013805 Cinncassiol C Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C is found in herbs and spices. Cinncassiol C C20H28O7 380.4321 380.18350325 2,6,9-trihydroxy-11-(1-hydroxypropan-2-yl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 2,6,9-trihydroxy-11-(1-hydroxypropan-2-yl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione 73613-35-1 CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3 BKRBOORGXGTRIL-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 Primary alcohols 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 Primary alcohol Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 0.45 ALOGPS logs -1.65 ALOGPS solubility 8.51e+00 g/l ALOGPS melting_point Mp 204-207° logp 0.85 ChemAxon pka_strongest_acidic 11.35 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 2,6,9-trihydroxy-11-(1-hydroxypropan-2-yl)-1,5,10-trimethyl-8-oxatetracyclo[7.4.1.1⁷,¹⁰.0²,⁷]pentadec-11-ene-13,15-dione ChemAxon average_mass 380.4321 ChemAxon mono_mass 380.18350325 ChemAxon smiles CC(CO)C1=CC(=O)C2(C)CC3(O)OC4(C(O)C(C)CCC24O)C(=O)C13C ChemAxon formula C20H28O7 ChemAxon inchi InChI=1S/C20H28O7/c1-10-5-6-18(25)16(3)9-19(26)17(4,12(7-13(16)22)11(2)8-21)15(24)20(18,27-19)14(10)23/h7,10-11,14,21,23,25-26H,5-6,8-9H2,1-4H3 ChemAxon inchikey BKRBOORGXGTRIL-UHFFFAOYSA-N ChemAxon polar_surface_area 124.29 ChemAxon refractivity 95.53 ChemAxon polarizability 38.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26356 Specdb::CMs 44229 Specdb::CMs 162736 Specdb::NmrOneD 130218 Specdb::NmrOneD 130219 Specdb::NmrOneD 130220 Specdb::NmrOneD 130221 Specdb::NmrOneD 130222 Specdb::NmrOneD 130223 Specdb::NmrOneD 130224 Specdb::NmrOneD 130225 Specdb::NmrOneD 130226 Specdb::NmrOneD 130227 Specdb::NmrOneD 130228 Specdb::NmrOneD 130229 Specdb::NmrOneD 130230 Specdb::NmrOneD 130231 Specdb::NmrOneD 130232 Specdb::NmrOneD 130233 Specdb::NmrOneD 130234 Specdb::NmrOneD 130235 Specdb::NmrOneD 130236 Specdb::NmrOneD 130237 Specdb::MsMs 95022 Specdb::MsMs 95023 Specdb::MsMs 95024 Specdb::MsMs 159186 Specdb::MsMs 159187 Specdb::MsMs 159188 Specdb::MsMs 2782357 Specdb::MsMs 2782358 Specdb::MsMs 2782359 Specdb::MsMs 2926060 Specdb::MsMs 2926061 Specdb::MsMs 2926062 HMDB35166 #<Reference:0x000055ce3253d968> Herbs and Spices Unknown generic