1.0 2010-04-08 22:11:35 UTC 2019-11-26 03:11:05 UTC FDB015001 4,11,13,15-Tetrahydroridentin B Constituent of Taraxacum officinale (dandelion). 4,11,13,15-Tetrahydroridentin B is found in many foods, some of which are alcoholic beverages, beverages, coffee and coffee products, and dandelion. 4,11,13,15-Tetrahydroridentin B 4alpha(15), 11beta(13)-Tetrahydroridentin B C15H24O4 268.3487 268.167459256 (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-dodecahydronaphtho[1,2-b]furan-2-one (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-decahydronaphtho[1,2-b]furan-2-one 75991-58-1 [H][C@@]12[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]1(C)[C@H](O)C[C@H](O)[C@@H]2C InChI=1S/C15H24O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12+,13-,15-/m0/s1 GAPZIAIPNAGPQZ-UIUPBXLSSA-N belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Eudesmanolides, secoeudesmanolides, and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 0.71 ALOGPS logs -1.68 ALOGPS solubility 5.62e+00 g/l ALOGPS melting_point Mp 141-142° logp 1.03 ChemAxon pka_strongest_acidic 14.42 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-dodecahydronaphtho[1,2-b]furan-2-one ChemAxon average_mass 268.3487 ChemAxon mono_mass 268.167459256 ChemAxon smiles [H][C@@]12[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]1(C)[C@H](O)C[C@H](O)[C@@H]2C ChemAxon formula C15H24O4 ChemAxon inchi InChI=1S/C15H24O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12+,13-,15-/m0/s1 ChemAxon inchikey GAPZIAIPNAGPQZ-UIUPBXLSSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 69.6 ChemAxon polarizability 29.57 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77892 Specdb::MsMs 77893 Specdb::MsMs 77894 Specdb::MsMs 138123 Specdb::MsMs 138124 Specdb::MsMs 138125 Specdb::MsMs 2461450 Specdb::MsMs 2461451 Specdb::MsMs 2461452 Specdb::MsMs 2477633 Specdb::MsMs 2477634 Specdb::MsMs 2477635 Specdb::CMs 12304 Specdb::CMs 44752 Specdb::CMs 169866 Specdb::NmrOneD 133918 Specdb::NmrOneD 133919 Specdb::NmrOneD 133920 Specdb::NmrOneD 133921 Specdb::NmrOneD 133922 Specdb::NmrOneD 133923 Specdb::NmrOneD 133924 Specdb::NmrOneD 133925 Specdb::NmrOneD 133926 Specdb::NmrOneD 133927 Specdb::NmrOneD 133928 Specdb::NmrOneD 133929 Specdb::NmrOneD 133930 Specdb::NmrOneD 133931 Specdb::NmrOneD 133932 Specdb::NmrOneD 133933 Specdb::NmrOneD 133934 Specdb::NmrOneD 133935 Specdb::NmrOneD 133936 Specdb::NmrOneD 133937 HMDB36150 #<Reference:0x000055ce32872610> #<Reference:0x000055ce32872430> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Beverages Unknown generic Black tea Type 1 Coffee and coffee products Unknown generic Dandelion Type 1 specific Taraxacum officinale 50225 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442