1.0 2010-04-08 22:06:40 UTC 2019-11-26 03:00:32 UTC FDB005391 1-beta-Hydroxyeuscaphic acid 1-beta-hydroxyeuscaphic acid is also known as 1-β-hydroxyeuscaphate. 1-beta-hydroxyeuscaphic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 1-beta-hydroxyeuscaphic acid can be found in loquat, which makes 1-beta-hydroxyeuscaphic acid a potential biomarker for the consumption of this food product. C30H48O6 504.6985 504.345089268 (1R,2R,4aS,6aS,6bR,10S,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid (1R,2R,4aS,6aS,6bR,10S,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid [H][C@]12C3=CCC4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]1(CC[C@@H](C)[C@@]2(C)O)C(O)=O InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1 VULLSLYDWNGNKZ-RIXBZXPUSA-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 acids Cyclitols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclitol or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Tertiary alcohol Triterpenoid logp 3.90 ALOGPS logs -4.17 ALOGPS solubility 3.40e-02 g/l ALOGPS logp 3.35 ChemAxon pka_strongest_acidic 4.51 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1R,2R,4aS,6aS,6bR,10S,11S,12S,12aR,14bS)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid ChemAxon average_mass 504.6985 ChemAxon mono_mass 504.345089268 ChemAxon smiles [H][C@]12C3=CCC4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@]1(CC[C@@H](C)[C@@]2(C)O)C(O)=O ChemAxon formula C30H48O6 ChemAxon inchi InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19?,20+,21-,22-,23-,26-,27-,28+,29-,30+/m1/s1 ChemAxon inchikey VULLSLYDWNGNKZ-RIXBZXPUSA-N ChemAxon polar_surface_area 118.22 ChemAxon refractivity 137.87 ChemAxon polarizability 56.8 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99126 Specdb::MsMs 99127 Specdb::MsMs 99128 Specdb::MsMs 164214 Specdb::MsMs 164215 Specdb::MsMs 164216 Specdb::MsMs 3601739 Specdb::MsMs 3601740 Specdb::MsMs 3601741 Specdb::MsMs 3601742 Specdb::MsMs 3601743 Specdb::MsMs 3601744 Loquat Type 1 specific Eriobotrya japonica 32224