1.0 2010-04-08 22:12:04 UTC 2025-11-19 01:00:00 UTC FDB015817 Anhydrocinnzeylanol Isolated from Cinnamomum cassia (Chinese cinnamon). Anhydrocinnzeylanol is found in chinese cinnamon and herbs and spices. Anhydrocinnzeylanol C20H30O6 366.4486 366.204238692 (1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(propan-2-yl)-13-oxatetracyclo[5.5.3.0^{1,8}.0^{2,6}]pentadec-3-en-14-one (1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-tetrahydroxy-4-isopropyl-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.0^{1,8}.0^{2,6}]pentadec-3-en-14-one 65230-04-8 CC(C)C1=C(C)[C@@]2(O)[C@@](O)(C1)[C@@]1(C)CC(=O)O[C@@]22[C@H](O)[C@@H](C)CC[C@]12O InChI=1S/C20H30O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,15,22-25H,6-9H2,1-5H3/t11-,15+,16-,17-,18+,19+,20+/m0/s1 JFDHTDLZWVKRQT-KGRJDOQESA-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 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 Secondary alcohol Sesquiterpenoid Terpene lactone Tertiary alcohol logp 0.86 ALOGPS logs -1.83 ALOGPS solubility 5.37e+00 g/l ALOGPS melting_point Mp 205-207° logp 0.44 ChemAxon pka_strongest_acidic 11.89 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2R,6R,7R,8S,11S,12R)-2,6,8,12-tetrahydroxy-3,7,11-trimethyl-4-(propan-2-yl)-13-oxatetracyclo[5.5.3.0^{1,8}.0^{2,6}]pentadec-3-en-14-one ChemAxon average_mass 366.4486 ChemAxon mono_mass 366.204238692 ChemAxon smiles CC(C)C1=C(C)[C@@]2(O)[C@@](O)(C1)[C@@]1(C)CC(=O)O[C@@]22[C@H](O)[C@@H](C)CC[C@]12O ChemAxon formula C20H30O6 ChemAxon inchi InChI=1S/C20H30O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,15,22-25H,6-9H2,1-5H3/t11-,15+,16-,17-,18+,19+,20+/m0/s1 ChemAxon inchikey JFDHTDLZWVKRQT-KGRJDOQESA-N ChemAxon polar_surface_area 107.22 ChemAxon refractivity 93.2 ChemAxon polarizability 38.62 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103422 Specdb::MsMs 103423 Specdb::MsMs 103424 Specdb::MsMs 169467 Specdb::MsMs 169468 Specdb::MsMs 169469 HMDB36863 #<Reference:0x000055ce323febb0> Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Herbs and Spices Unknown generic