1.0 2010-04-08 22:15:27 UTC 2019-11-26 03:19:51 UTC FDB021080 3,28-Dihexadecanoyl 20(29)-lupene-2a,3b,28-triol Constituent of Rheum rhabarbarum (rhubarb). 3,28-Dihexadecanoyl 20(29)-lupene-2a,3b,28-triol is found in green vegetables. 20(29)-Lupene-2a,3b,28-triol 3,28-dihexadecanoate 3,28-Dihexadecanoyl 20(29)-lupene-2a,3b,28-triol C62H110O5 935.5338 934.83532663 [17-(hexadecanoyloxy)-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-5-yl]methyl hexadecanoate [17-(hexadecanoyloxy)-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-5-yl]methyl hexadecanoate 169134-55-8 CCCCCCCCCCCCCCCC(=O)OCC12CCC(C1C1CCC3C4(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)=C InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3 RHHIAWXSQKGCMB-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Secondary alcohols Steroid esters Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Steroid ester Triterpenoid logp 10.45 ALOGPS logs -7.73 ALOGPS solubility 1.74e-05 g/l ALOGPS logp 18.93 ChemAxon pka_strongest_acidic 14.14 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac [17-(hexadecanoyloxy)-16-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]henicosan-5-yl]methyl hexadecanoate ChemAxon average_mass 935.5338 ChemAxon mono_mass 934.83532663 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCC12CCC(C1C1CCC3C4(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C4CCC3(C)C1(C)CC2)C(C)=C ChemAxon formula C62H110O5 ChemAxon inchi InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3 ChemAxon inchikey RHHIAWXSQKGCMB-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 281.23 ChemAxon polarizability 123.74 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 289147 Specdb::MsMs 289148 Specdb::MsMs 289149 Specdb::MsMs 328489 Specdb::MsMs 328490 Specdb::MsMs 328491 Specdb::MsMs 2364286 Specdb::MsMs 2364287 Specdb::MsMs 2364288 Specdb::MsMs 2602127 Specdb::MsMs 2602128 Specdb::MsMs 2602129 HMDB41184 #<Reference:0x000055ce318586f8> Green vegetables Unknown generic