1.0 2011-03-17 23:25:24 UTC 2025-11-19 02:38:48 UTC FDB021641 Tirucalla-7,24-dien-3-ol 3beta-tirucalla-7,24-dien-3-ol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 3beta-tirucalla-7,24-dien-3-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3beta-tirucalla-7,24-dien-3-ol can be found in shea tree, soy bean, and tea, which makes 3beta-tirucalla-7,24-dien-3-ol a potential biomarker for the consumption of these food products. Tirucalla-7,24-dien-3-ol C30H50O 426.7174 426.386166222 2,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 2,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 33755-52-1 CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3 DICCPNLDOZNSML-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 3-hydroxy delta-7-steroids Cholesterols and derivatives Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholestane-skeleton Cholesterol Cholesterol-skeleton Cyclic alcohol Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid a triterpenoid logp 7.98 ALOGPS logs -6.58 ALOGPS solubility 1.13e-04 g/l ALOGPS logp 7.75 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 2,6,6,11,15-pentamethyl-14-(6-methylhept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC(CCC=C(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,21-23,25-26,31H,9,11,13-19H2,1-8H3 ChemAxon inchikey DICCPNLDOZNSML-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.81 ChemAxon polarizability 54.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12567 Specdb::CMs 44089 Specdb::CMs 168890 Specdb::MsMs 11738 Specdb::MsMs 11739 Specdb::MsMs 11740 Specdb::MsMs 18410 Specdb::MsMs 18411 Specdb::MsMs 18412 Specdb::MsMs 2302302 Specdb::MsMs 2302303 Specdb::MsMs 2302304 Specdb::MsMs 3066422 Specdb::MsMs 3066423 Specdb::MsMs 3066424 HMDB0034929 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442