1.0 2010-04-08 22:12:19 UTC 2019-11-26 03:12:56 UTC FDB016240 Rosmaridiphenol Constituent of the leaves of Rosmarinus officinalis (rosemary). Rosmaridiphenol is found in herbs and spices and rosemary. Rosmaridiphenol C20H28O3 316.4345 316.203844762 4,5-dihydroxy-12,12-dimethyl-6-(propan-2-yl)tricyclo[9.4.0.0³,⁸]pentadeca-3,5,7-trien-2-one 4,5-dihydroxy-6-isopropyl-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-3,5,7-trien-2-one 91729-95-2 CC(C)C1=C(O)C(O)=C2C(CCC3C(CCCC3(C)C)C2=O)=C1 InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3 WIEOUDNBMYRSRD-UHFFFAOYSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic homopolycyclic compounds 1-hydroxy-4-unsubstituted benzenoids Aryl alkyl ketones Hydrocarbon derivatives Organic oxides Vinylogous acids 1-hydroxy-4-unsubstituted benzenoid Abeoabietane diterpenoid Aromatic homopolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Diterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Vinylogous acid logp 4.40 ALOGPS logs -3.96 ALOGPS solubility 3.46e-02 g/l ALOGPS melting_point Mp 182-184° logp 5.86 ChemAxon pka_strongest_acidic 9.54 ChemAxon pka_strongest_basic -5.3 ChemAxon iupac 4,5-dihydroxy-12,12-dimethyl-6-(propan-2-yl)tricyclo[9.4.0.0³,⁸]pentadeca-3,5,7-trien-2-one ChemAxon average_mass 316.4345 ChemAxon mono_mass 316.203844762 ChemAxon smiles CC(C)C1=C(O)C(O)=C2C(CCC3C(CCCC3(C)C)C2=O)=C1 ChemAxon formula C20H28O3 ChemAxon inchi InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3 ChemAxon inchikey WIEOUDNBMYRSRD-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 92.63 ChemAxon polarizability 36.64 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21635 Specdb::CMs 45272 Specdb::CMs 150262 Specdb::MsMs 74190 Specdb::MsMs 74191 Specdb::MsMs 74192 Specdb::MsMs 133503 Specdb::MsMs 133504 Specdb::MsMs 133505 Specdb::MsMs 2844188 Specdb::MsMs 2844189 Specdb::MsMs 2844190 Specdb::MsMs 2861746 Specdb::MsMs 2861747 Specdb::MsMs 2861748 HMDB37233 #<Reference:0x000055ce315a8e80> Herbs and Spices Unknown generic Rosemary Type 1 specific Rosmarinus officinalis 39367 Anti-oxidant 502 A 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. Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms.