1.0 2010-04-08 22:11:02 UTC 2019-11-26 03:09:26 UTC FDB014027 3beta-3-Hydroxy-18-lupen-21-one Constituent of Taraxacum officinale (dandelion). 3beta-3-Hydroxy-18-lupen-21-one is found in many foods, some of which are alcoholic beverages, beverages, tea, and coffee and coffee products. C30H48O2 440.7009 440.36543078 17-hydroxy-1,2,5,14,18,18-hexamethyl-8-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-8-en-7-one 17-hydroxy-8-isopropyl-1,2,5,14,18,18-hexamethylpentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-8-en-7-one 29367-66-6 CC(C)C1=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1=O InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h18-19,21-23,32H,9-17H2,1-8H3 FLGCQFQUEPUAMZ-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds 16-oxosteroids Cyclic alcohols and derivatives Cyclic ketones Hydrocarbon derivatives Organic oxides Secondary alcohols 16-oxosteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Cyclic alcohol Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Secondary alcohol Steroid Triterpenoid logp 6.32 ALOGPS logs -5.61 ALOGPS solubility 1.09e-03 g/l ALOGPS logp 6.68 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 17-hydroxy-1,2,5,14,18,18-hexamethyl-8-(propan-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicos-8-en-7-one ChemAxon average_mass 440.7009 ChemAxon mono_mass 440.36543078 ChemAxon smiles CC(C)C1=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1=O ChemAxon formula C30H48O2 ChemAxon inchi InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h18-19,21-23,32H,9-17H2,1-8H3 ChemAxon inchikey FLGCQFQUEPUAMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 132.41 ChemAxon polarizability 54.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13345 Specdb::CMs 44347 Specdb::CMs 135174 Specdb::CMs 142908 Specdb::MsMs 62280 Specdb::MsMs 62281 Specdb::MsMs 62282 Specdb::MsMs 118968 Specdb::MsMs 118969 Specdb::MsMs 118970 Specdb::MsMs 2744613 Specdb::MsMs 2744614 Specdb::MsMs 2744615 Specdb::MsMs 2936962 Specdb::MsMs 2936963 Specdb::MsMs 2936964 HMDB35355 #<Reference:0x000055ce31a3dfe0> 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 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