1.0 2010-04-08 22:06:14 UTC 2019-11-26 03:00:00 UTC FDB004408 24-Methylene-dammarenol 24-methylene-dammarenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 24-methylene-dammarenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-methylene-dammarenol can be found in shea tree, soy bean, and tea, which makes 24-methylene-dammarenol a potential biomarker for the consumption of these food products. C31H52O 440.744 440.401816286 (1R,2R,5S,7R,10R,11R,14S,15R)-2,6,6,10,11-pentamethyl-14-(6-methyl-5-methylidenehept-1-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol (1R,2R,5S,7R,10R,11R,14S,15R)-2,6,6,10,11-pentamethyl-14-(6-methyl-5-methylidenehept-1-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@H]2C(=C)CCC(=C)C(C)C InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-30(8)24(23)12-13-26-29(7)17-16-27(32)28(5,6)25(29)15-19-31(26,30)9/h20,23-27,32H,3-4,10-19H2,1-2,5-9H3/t23-,24-,25+,26-,27+,29+,30-,31-/m1/s1 RBDGMBLJLFFILO-HVCSHQRCSA-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 14-alpha-methylsteroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 14-alpha-methylsteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid logp 7.09 ALOGPS logs -6.41 ALOGPS solubility 1.72e-04 g/l ALOGPS logp 8.15 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (1R,2R,5S,7R,10R,11R,14S,15R)-2,6,6,10,11-pentamethyl-14-(6-methyl-5-methylidenehept-1-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol ChemAxon average_mass 440.744 ChemAxon mono_mass 440.401816286 ChemAxon smiles [H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@H]2C(=C)CCC(=C)C(C)C ChemAxon formula C31H52O ChemAxon inchi InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-30(8)24(23)12-13-26-29(7)17-16-27(32)28(5,6)25(29)15-19-31(26,30)9/h20,23-27,32H,3-4,10-19H2,1-2,5-9H3/t23-,24-,25+,26-,27+,29+,30-,31-/m1/s1 ChemAxon inchikey RBDGMBLJLFFILO-HVCSHQRCSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 137.21 ChemAxon polarizability 56.03 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61578 Specdb::MsMs 61579 Specdb::MsMs 61580 Specdb::MsMs 118134 Specdb::MsMs 118135 Specdb::MsMs 118136 Specdb::MsMs 3600443 Specdb::MsMs 3600444 Specdb::MsMs 3600445 Specdb::MsMs 3600446 Specdb::MsMs 3600447 Specdb::MsMs 3600448 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Shea tree Type 1 specific Vitellaria paradoxa 292385 Soy bean Type 1 specific Glycine max 3847 Tea Type 1 specific Camellia sinensis 4442