1.0 2010-04-08 22:15:27 UTC 2025-11-19 02:35:26 UTC FDB021079 20(29)-Lupene-2a,3b,28-triol Constituent of Rheum rhabarbarum (rhubarb). 20(29)-Lupene-2a,3b,28-triol is found in green vegetables. (2alpha,3beta)-20(29)-Lupene-2,3,28-triol 20(29)-Lupene-2a,3b,28-triol C30H50O3 458.7162 458.375995466 5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-16,17-diol 5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-16,17-diol 169134-54-7 CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C12 InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3 YTLCVRQYWKFDSE-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 18-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Primary alcohols Secondary alcohols 18-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid logp 4.57 ALOGPS logs -5.52 ALOGPS solubility 1.39e-03 g/l ALOGPS melting_point Mp 258-260° logp 5.09 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosane-16,17-diol ChemAxon average_mass 458.7162 ChemAxon mono_mass 458.375995466 ChemAxon smiles CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C12 ChemAxon formula C30H50O3 ChemAxon inchi InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-23-27(5)16-21(32)25(33)26(3,4)22(27)11-12-29(23,28)7/h19-25,31-33H,1,8-17H2,2-7H3 ChemAxon inchikey YTLCVRQYWKFDSE-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 134.04 ChemAxon polarizability 55.76 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13696 Specdb::CMs 47163 Specdb::CMs 164001 Specdb::MsMs 296191 Specdb::MsMs 296192 Specdb::MsMs 296193 Specdb::MsMs 337429 Specdb::MsMs 337430 Specdb::MsMs 337431 Specdb::MsMs 2343971 Specdb::MsMs 2343972 Specdb::MsMs 2343973 Specdb::MsMs 2595436 Specdb::MsMs 2595437 Specdb::MsMs 2595438 HMDB41183 #<Reference:0x000055ce31d4da28> Green vegetables Unknown generic