1.0 2010-04-08 22:10:12 UTC 2025-11-18 23:37:13 UTC FDB012487 Withaperuvin B From Physalis peruviana (Cape gooseberry). Withaperuvin B is found in fruits. Withaperuvin B C28H40O9 520.6118 520.267232878 6-(1-hydroxy-1-{6,7,8,11,14-pentahydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-14-yl}ethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one 6-(1-hydroxy-1-{6,7,8,11,14-pentahydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-14-yl}ethyl)-3,4-dimethyl-5,6-dihydropyran-2-one 81644-35-1 CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3 XLUKITCTLVOOAW-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. Alpha hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Alpha hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol 2-hydroxy monocarboxylic acid primary alcohol logp 0.64 ALOGPS logs -2.70 ALOGPS solubility 1.04e+00 g/l ALOGPS melting_point Mp 269-270° logp 0.61 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 6-(1-hydroxy-1-{6,7,8,11,14-pentahydroxy-2,15-dimethyl-3-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-4-en-14-yl}ethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one ChemAxon average_mass 520.6118 ChemAxon mono_mass 520.267232878 ChemAxon smiles CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12C ChemAxon formula C28H40O9 ChemAxon inchi InChI=1S/C28H40O9/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-20(31)28(36)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30-31,33-36H,8-13H2,1-5H3 ChemAxon inchikey XLUKITCTLVOOAW-UHFFFAOYSA-N ChemAxon polar_surface_area 164.75 ChemAxon refractivity 133.13 ChemAxon polarizability 55.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17935 Specdb::CMs 43756 Specdb::MsMs 11591 Specdb::MsMs 11592 Specdb::MsMs 11593 Specdb::MsMs 18263 Specdb::MsMs 18264 Specdb::MsMs 18265 HMDB0034191 Fruits Unknown generic