1.02010-04-08 22:10:12 UTC2019-11-26 03:06:53 UTCFDB012487Withaperuvin BFrom Physalis peruviana (Cape gooseberry). Withaperuvin B is found in fruits.Withaperuvin BC28H40O9520.6118520.2672328786-(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-one6-(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-one81644-35-1CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12CInChI=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,8-13H2,1-5H3XLUKITCTLVOOAW-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 derivativesOrganic compoundsOrganic acids and derivativesHydroxy acids and derivativesAlpha hydroxy acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesPrimary alcoholsAlcoholAliphatic acyclic compoundAlpha-hydroxy acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundPrimary alcohol2-hydroxy monocarboxylic acidprimary alcohollogp0.64logs-2.70solubility1.04e+00 g/lmelting_pointMp 269-270°logp0.61pka_strongest_acidic12.17pka_strongest_basic-3.2iupac6-(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-oneaverage_mass520.6118mono_mass520.267232878smilesCC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CCC2(O)C3CC(O)C4(O)C(O)C=CC(=O)C4(C)C3CCC12CformulaC28H40O9inchiInChI=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,8-13H2,1-5H3inchikeyXLUKITCTLVOOAW-UHFFFAOYSA-Npolar_surface_area164.75refractivity133.13polarizability55.2rotatable_bond_count2acceptor_count8donor_count6physiological_charge0formal_charge0Specdb::CMs17935Specdb::CMs43756Specdb::MsMs18263Specdb::MsMs18264Specdb::MsMs18265Specdb::MsMs11591Specdb::MsMs11592Specdb::MsMs11593FruitsUnknowngeneric