1.02010-04-08 22:11:56 UTC2019-11-26 03:11:54 UTCFDB015588IsorosmanolConstituent of Rosmarinus officinalis (rosemary). Isorosmanol is found in herbs and spices, rosemary, and common sage.6,11,12-Trihydroxy-8,11,13-abietatrien-20,7-olideIsorosmanolC20H26O5346.4174346.1780239423,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one3,4,9-trihydroxy-5-isopropyl-11,11-dimethyl-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-one93780-80-4CC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(O)C2OC3=OInChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3UXVPWKDITRJELA-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.Diterpene lactonesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene lactoneslogp3.23logs-2.65solubility7.74e-01 g/lmelting_pointMp 227°logp3.58pka_strongest_acidic9.18pka_strongest_basic-3.3iupac3,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-trien-15-oneaverage_mass346.4174mono_mass346.178023942smilesCC(C)C1=CC2=C(C(O)=C1O)C13CCCC(C)(C)C1C(O)C2OC3=OformulaC20H26O5inchiInChI=1S/C20H26O5/c1-9(2)10-8-11-12(14(22)13(10)21)20-7-5-6-19(3,4)17(20)15(23)16(11)25-18(20)24/h8-9,15-17,21-23H,5-7H2,1-4H3inchikeyUXVPWKDITRJELA-UHFFFAOYSA-Npolar_surface_area86.99refractivity92.71polarizability36.71rotatable_bond_count1acceptor_count4donor_count3physiological_charge0formal_charge0Specdb::CMs14675Specdb::CMs44960Specdb::CMs136004Specdb::CMs143738Specdb::MsMs51021Specdb::MsMs51022Specdb::MsMs51023Specdb::MsMs170070Specdb::MsMs170071Specdb::MsMs170072Specdb::MsMs2723978Specdb::MsMs2723979Specdb::MsMs2723980Specdb::MsMs2954685Specdb::MsMs2954686Specdb::MsMs2954687HMDB36661#<Reference:0x0000555674456df0>#<Reference:0x0000555674456c38>Common sageType 1specificSalvia officinalis38868Herbs and SpicesUnknowngenericRosemaryType 1specificRosmarinus officinalis39367antioxidant502A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324.