1.0 2010-04-08 22:06:06 UTC 2025-11-18 22:55:18 UTC FDB004124 psi-Taraxasterol Psi-taraxasterol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Psi-taraxasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Psi-taraxasterol can be found in burdock and dandelion, which makes psi-taraxasterol a potential biomarker for the consumption of these food products. C30H50O 426.7174 426.386166222 (3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol (3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,12,12a,12b,13,14,14a-tetradecahydro-1H-picen-3-ol C[C@H]1C2C3CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21?,22?,23?,24+,25?,27-,28+,29-,30-/m1/s1 NGFFRJBGMSPDMS-VPUBHQHASA-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 Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.39 ALOGPS logs -7.04 ALOGPS solubility 3.87e-05 g/l ALOGPS logp 7.39 ChemAxon pka_strongest_acidic 19.49 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (3S,6aR,6bR,8aS,12S,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles C[C@H]1C2C3CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3/t20-,21?,22?,23?,24+,25?,27-,28+,29-,30-/m1/s1 ChemAxon inchikey NGFFRJBGMSPDMS-VPUBHQHASA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.98 ChemAxon polarizability 54.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53262 Specdb::MsMs 53263 Specdb::MsMs 53264 Specdb::MsMs 118971 Specdb::MsMs 118972 Specdb::MsMs 118973 Specdb::MsMs 3600017 Specdb::MsMs 3600018 Specdb::MsMs 3600019 Specdb::MsMs 3600020 Specdb::MsMs 3600021 Specdb::MsMs 3600022 Burdock Type 1 specific Arctium lappa 4217 Dandelion Type 1 specific Taraxacum officinale 50225