1.0 2010-04-08 22:10:05 UTC 2025-11-18 23:35:26 UTC FDB012277 Pitheduloside H Constituent of Pithecellobium dulce (manila tamarind). Pitheduloside H is found in fruits. C30H48O5 488.6991 488.350174646 3,5,10-trihydroxy-2,2,6a,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 3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid 200127-48-6 CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(O)=O InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35) CFKXWTNHIJAFNL-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Alcohol Aliphatic homopolycyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Triterpenoid logp 4.91 ALOGPS logs -4.73 ALOGPS solubility 9.09e-03 g/l ALOGPS melting_point Mp 196-198° logp 4.13 ChemAxon pka_strongest_acidic 4.52 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac 3,5,10-trihydroxy-2,2,6a,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 488.6991 ChemAxon mono_mass 488.350174646 ChemAxon smiles CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CC1O)C(O)=O ChemAxon formula C30H48O5 ChemAxon inchi InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35) ChemAxon inchikey CFKXWTNHIJAFNL-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 136.66 ChemAxon polarizability 56.82 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6710 Specdb::MsMs 6711 Specdb::MsMs 6712 Specdb::MsMs 13382 Specdb::MsMs 13383 Specdb::MsMs 13384 Specdb::MsMs 2385479 Specdb::MsMs 2385480 Specdb::MsMs 2385481 Specdb::MsMs 2576358 Specdb::MsMs 2576359 Specdb::MsMs 2576360 Specdb::CMs 16279 Specdb::CMs 43668 Specdb::CMs 132331 Specdb::CMs 140065 Specdb::CMs 164359 Specdb::CMs 164361 Specdb::CMs 164364 Specdb::CMs 164366 Specdb::CMs 164368 Specdb::CMs 164370 Specdb::CMs 164373 Specdb::CMs 280470 HMDB0034036 Fruits Unknown generic