1.0 2010-04-08 22:13:47 UTC 2025-11-19 02:12:16 UTC FDB018563 (3'a,5'a,9'x,10'b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone Constituent of Ferula galbaniflua (galbanum). (3'a,5'a,9'x,10'b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3'a,5'a,9'x,10'b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone (3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone C24H30O4 382.4926 382.214409448 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1 InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3 MCTDXPDDZLFJHR-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Benzenoids Cyclic alcohols and derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives Secondary alcohols 1-benzopyran Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumarin Cyclic alcohol Ether Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone Secondary alcohol logp 5.10 ALOGPS logs -5.26 ALOGPS solubility 2.09e-03 g/l ALOGPS melting_point Mp 71-72° logp 4.28 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one ChemAxon average_mass 382.4926 ChemAxon mono_mass 382.214409448 ChemAxon smiles CC1=CCC2C(C)(C)C(O)CCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1 ChemAxon formula C24H30O4 ChemAxon inchi InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3 ChemAxon inchikey MCTDXPDDZLFJHR-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 110.67 ChemAxon polarizability 43.16 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24171 Specdb::CMs 46242 Specdb::CMs 171599 Specdb::MsMs 12623 Specdb::MsMs 12624 Specdb::MsMs 12625 Specdb::MsMs 19295 Specdb::MsMs 19296 Specdb::MsMs 19297 Specdb::MsMs 452081 Specdb::MsMs 452082 Specdb::MsMs 452083 Specdb::MsMs 2837376 Specdb::MsMs 2837377 Specdb::MsMs 2837378 Specdb::MsMs 2868177 Specdb::MsMs 2868178 Specdb::MsMs 2868179 HMDB0039065 Herbs and Spices Unknown generic