1.02010-04-08 22:11:21 UTC2019-11-26 03:10:21 UTCFDB0145727-MethylrosmanolFrom aerial parts of rosemary (Rosmarinus officinalis). 7-Methylrosmanol is found in herbs and spices, rosemary, and common sage.7-Methoxyrosmanol7-MethylrosmanolC21H28O5360.444360.1936740063,4-dihydroxy-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one113085-62-4COC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C(O)C(O)=C(C=C12)C(C)CInChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3XNPVHIQPSAZTLC-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 lactoneslogp3.84logs-3.69solubility7.32e-02 g/llogp4.22pka_strongest_acidic9.18pka_strongest_basic-4.2iupac3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-oneaverage_mass360.444mono_mass360.193674006smilesCOC1C2OC(=O)C3(CCCC(C)(C)C23)C2=C(O)C(O)=C(C=C12)C(C)CformulaC21H28O5inchiInChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3inchikeyXNPVHIQPSAZTLC-UHFFFAOYSA-Npolar_surface_area75.99refractivity97.46polarizability38.87rotatable_bond_count2acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs18456Specdb::CMs44576Specdb::CMs134505Specdb::CMs142239Specdb::MsMs6839Specdb::MsMs6840Specdb::MsMs6841Specdb::MsMs13511Specdb::MsMs13512Specdb::MsMs13513Specdb::MsMs2755987Specdb::MsMs2755988Specdb::MsMs2755989Specdb::MsMs2952912Specdb::MsMs2952913Specdb::MsMs2952914HMDB35813#<Reference:0x0000555674931398>Common sageType 1specificSalvia officinalis38868Herbs and SpicesUnknowngenericRosemaryType 1specificRosmarinus officinalis393671.81.81.8mg/100 g