1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:18 UTC FDB018540 (3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone Constituent of Ferula galbaniflua (galbanum). (3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3'x,5'a,9'x,10'b)-O-(6-Oxo-7-drimen-11-yl)umbelliferone C24H28O4 380.4767 380.198759384 7-[(2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one 7-[(2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one CC1=CC(=O)C2C(C)(C)CCCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1 InChI=1S/C24H28O4/c1-15-12-19(25)22-23(2,3)10-5-11-24(22,4)18(15)14-27-17-8-6-16-7-9-21(26)28-20(16)13-17/h6-9,12-13,18,22H,5,10-11,14H2,1-4H3 CKZQOSCRZFMJSZ-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 Cyclohexenones Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Coumarin Cyclohexenone Ether Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 4.96 ALOGPS logs -5.67 ALOGPS solubility 8.05e-04 g/l ALOGPS melting_point Mp 157° logp 4.94 ChemAxon pka_strongest_acidic 18.41 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 7-[(2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one ChemAxon average_mass 380.4767 ChemAxon mono_mass 380.198759384 ChemAxon smiles CC1=CC(=O)C2C(C)(C)CCCC2(C)C1COC1=CC2=C(C=CC(=O)O2)C=C1 ChemAxon formula C24H28O4 ChemAxon inchi InChI=1S/C24H28O4/c1-15-12-19(25)22-23(2,3)10-5-11-24(22,4)18(15)14-27-17-8-6-16-7-9-21(26)28-20(16)13-17/h6-9,12-13,18,22H,5,10-11,14H2,1-4H3 ChemAxon inchikey CKZQOSCRZFMJSZ-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 109.8 ChemAxon polarizability 42.43 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 100341 Specdb::MsMs 100342 Specdb::MsMs 100343 Specdb::MsMs 165639 Specdb::MsMs 165640 Specdb::MsMs 165641 Specdb::MsMs 2747317 Specdb::MsMs 2747318 Specdb::MsMs 2747319 Specdb::MsMs 2931210 Specdb::MsMs 2931211 Specdb::MsMs 2931212 Specdb::CMs 18435 Specdb::CMs 173636 HMDB39043 #<Reference:0x000055ce3228b620> Herbs and Spices Unknown generic