1.0 2010-04-08 22:08:10 UTC 2019-11-26 03:02:54 UTC FDB008620 14-Hydroxy-7-methylrosmanol Constituent of leaves of rosemary (Rosmarinus officinalis). 14-Hydroxy-7-methylrosmanol is found in herbs and spices. 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide 14-Hydroxy-7-methylrosmanol 14-Hydroxy-7-O-methylrosmanol C21H28O6 376.4434 376.188588628 3,4,6-trihydroxy-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one 3,4,6-trihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one 197649-67-5 COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(O)=C(C(C)C)C(O)=C2O InChI=1S/C21H28O6/c1-9(2)10-13(22)11-12(15(24)14(10)23)21-8-6-7-20(3,4)18(21)17(16(11)26-5)27-19(21)25/h9,16-18,22-24H,6-8H2,1-5H3 LBJNLIBZUVWVTE-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Diterpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aromatic heteropolycyclic compounds Benzoxepines Carbonyl compounds Carboxylic acid esters Dialkyl ethers Diterpenoids Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Phenanthrenes and derivatives Polyols Tetrahydrofurans Tetralins Aromatic heteropolycyclic compound Benzenoid Benzoxepine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Diterpene lactone Diterpenoid Ether Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenanthrene Polyol Tetrahydrofuran Tetralin logp 3.21 ALOGPS logs -2.91 ALOGPS solubility 4.59e-01 g/l ALOGPS logp 3.92 ChemAxon pka_strongest_acidic 9.43 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3,4,6-trihydroxy-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one ChemAxon average_mass 376.4434 ChemAxon mono_mass 376.188588628 ChemAxon smiles COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C1C(O)=C(C(C)C)C(O)=C2O ChemAxon formula C21H28O6 ChemAxon inchi InChI=1S/C21H28O6/c1-9(2)10-13(22)11-12(15(24)14(10)23)21-8-6-7-20(3,4)18(21)17(16(11)26-5)27-19(21)25/h9,16-18,22-24H,6-8H2,1-5H3 ChemAxon inchikey LBJNLIBZUVWVTE-UHFFFAOYSA-N ChemAxon polar_surface_area 96.22 ChemAxon refractivity 99.45 ChemAxon polarizability 39.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14236 Specdb::CMs 42671 Specdb::CMs 163619 Specdb::MsMs 44376 Specdb::MsMs 44377 Specdb::MsMs 44378 Specdb::MsMs 125616 Specdb::MsMs 125617 Specdb::MsMs 125618 Specdb::MsMs 2731015 Specdb::MsMs 2731016 Specdb::MsMs 2731017 Specdb::MsMs 2975330 Specdb::MsMs 2975331 Specdb::MsMs 2975332 HMDB31932 #<Reference:0x000055ce2f24f178> Herbs and Spices Unknown generic