1.0 2010-04-08 22:12:04 UTC 2025-11-19 00:59:54 UTC FDB015811 Cinncassiol E Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol E is found in herbs and spices. C20H30O8 398.4474 398.194067936 (3S,4S,7R,8S,9R,10S,11R,13S,15S)-3,7,15-trimethyl-13-(propan-2-yl)-14,16-dioxahexacyclo[7.6.1.0^{2,13}.0^{3,11}.0^{4,8}.0^{10,15}]hexadecane-1,4,8,9,10,11-hexol (3S,4S,7R,8S,9R,10S,11R,13S,15S)-13-isopropyl-3,7,15-trimethyl-14,16-dioxahexacyclo[7.6.1.0^{2,13}.0^{3,11}.0^{4,8}.0^{10,15}]hexadecane-1,4,8,9,10,11-hexol 98751-76-9 CC(C)[C@]12C[C@@]3(O)[C@]4(C)C1C1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11?,12+,13-,14+,15+,16-,17+,18?,19-,20-/m1/s1 KFWCNRCQYZWAFT-DEOAXKMISA-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 Dialkyl ethers Furans Furofurans Furopyrans Hemiacetals Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Oxepanes Polyols Pyrans Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Furan Furofuran Furopyran Hemiacetal Hydrocarbon derivative Monosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Pyran Sesquiterpenoid Tertiary alcohol Tetrahydrofuran sesquiterpenoid logp -0.23 ALOGPS logs -0.92 ALOGPS solubility 4.75e+01 g/l ALOGPS melting_point Mp 195-198° logp -0.53 ChemAxon pka_strongest_acidic 9.59 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3S,4S,7R,8S,9R,10S,11R,13S,15S)-3,7,15-trimethyl-13-(propan-2-yl)-14,16-dioxahexacyclo[7.6.1.0^{2,13}.0^{3,11}.0^{4,8}.0^{10,15}]hexadecane-1,4,8,9,10,11-hexol ChemAxon average_mass 398.4474 ChemAxon mono_mass 398.194067936 ChemAxon smiles CC(C)[C@]12C[C@@]3(O)[C@]4(C)C1C1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2 ChemAxon formula C20H30O8 ChemAxon inchi InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11?,12+,13-,14+,15+,16-,17+,18?,19-,20-/m1/s1 ChemAxon inchikey KFWCNRCQYZWAFT-DEOAXKMISA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 92.65 ChemAxon polarizability 39.59 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB36857 #<Reference:0x000055ce32294b08> Herbs and Spices Unknown generic