1.0 2010-04-08 22:10:55 UTC 2019-11-26 03:09:05 UTC FDB013803 Cinncassiol A Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol A is found in herbs and spices. Sincassiol? C20H30O7 382.448 382.199153314 2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one 2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one 73599-11-8 CC(CO)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3 WIFHAKQJYHVTQK-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Delta valerolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Oxepanes Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Alcohol Aliphatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene lactone Tertiary alcohol logp 0.16 ALOGPS logs -1.64 ALOGPS solubility 8.76e+00 g/l ALOGPS melting_point Mp 172-174° logp -0.92 ChemAxon pka_strongest_acidic 11.89 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac 2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.0¹,⁸.0²,⁶]pentadec-3-en-14-one ChemAxon average_mass 382.448 ChemAxon mono_mass 382.199153314 ChemAxon smiles CC(CO)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC22C(O)C(C)CCC12O ChemAxon formula C20H30O7 ChemAxon inchi InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3 ChemAxon inchikey WIFHAKQJYHVTQK-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 95.05 ChemAxon polarizability 39.36 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25047 Specdb::CMs 44227 Specdb::CMs 158707 Specdb::MsMs 83115 Specdb::MsMs 83116 Specdb::MsMs 83117 Specdb::MsMs 144636 Specdb::MsMs 144637 Specdb::MsMs 144638 Specdb::MsMs 2737381 Specdb::MsMs 2737382 Specdb::MsMs 2737383 Specdb::MsMs 2968392 Specdb::MsMs 2968393 Specdb::MsMs 2968394 Specdb::NmrOneD 130178 Specdb::NmrOneD 130179 Specdb::NmrOneD 130180 Specdb::NmrOneD 130181 Specdb::NmrOneD 130182 Specdb::NmrOneD 130183 Specdb::NmrOneD 130184 Specdb::NmrOneD 130185 Specdb::NmrOneD 130186 Specdb::NmrOneD 130187 Specdb::NmrOneD 130188 Specdb::NmrOneD 130189 Specdb::NmrOneD 130190 Specdb::NmrOneD 130191 Specdb::NmrOneD 130192 Specdb::NmrOneD 130193 Specdb::NmrOneD 130194 Specdb::NmrOneD 130195 Specdb::NmrOneD 130196 Specdb::NmrOneD 130197 HMDB35164 #<Reference:0x000055ce32552980> Herbs and Spices Unknown generic