1.02010-04-08 22:10:09 UTC2019-11-26 03:06:44 UTCFDB01241612alpha-HydroxyerosoneConstituent of Pachyrrhizus erosus (yam bean). 12alpha-Hydroxyerosone is found in jicama and pulses.6a,13a-Dihydro-13a-hydroxy-2,3-dimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 9CIC20H16O7368.3368368.08960286613-hydroxy-16,17-dimethoxy-2,6,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,7,9,14,16,18-heptaen-12-one13-hydroxy-16,17-dimethoxy-2,6,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,7,9,14,16,18-heptaen-12-one66322-32-5COC1=C(OC)C=C2C(OCC3OC4=C(C=C5C=COC5=C4)C(=O)C23O)=C1InChI=1S/C20H16O7/c1-23-16-6-12-15(8-17(16)24-2)26-9-18-20(12,22)19(21)11-5-10-3-4-25-13(10)7-14(11)27-18/h3-8,18,22H,9H2,1-2H3SXKFYDWIBCRCRI-UHFFFAOYSA-N belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton.RotenonesOrganic compoundsPhenylpropanoids and polyketidesIsoflavonoidsRotenoidsAromatic heteropolycyclic compoundsAlkyl aryl ethersAnisolesAryl alkyl ketonesBenzofuransFuranochromonesFuransHeteroaromatic compoundsHydrocarbon derivativesIsoflavanonesOrganic oxidesOxacyclic compoundsTertiary alcohols1-benzopyranAlcoholAlkyl aryl etherAnisoleAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzofuranBenzopyranChromaneChromoneEtherFuranFuranochromoneHeteroaromatic compoundHydrocarbon derivativeIsoflavanIsoflavanoneKetoneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleRotenone or derivativesTertiary alcoholRotenoid flavonoidslogp2.27logs-3.32solubility1.78e-01 g/lmelting_pointMp 282-283° dec.logp1.97pka_strongest_acidic11.04pka_strongest_basic-3iupac13-hydroxy-16,17-dimethoxy-2,6,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3(11),4,7,9,14,16,18-heptaen-12-oneaverage_mass368.3368mono_mass368.089602866smilesCOC1=C(OC)C=C2C(OCC3OC4=C(C=C5C=COC5=C4)C(=O)C23O)=C1formulaC20H16O7inchiInChI=1S/C20H16O7/c1-23-16-6-12-15(8-17(16)24-2)26-9-18-20(12,22)19(21)11-5-10-3-4-25-13(10)7-14(11)27-18/h3-8,18,22H,9H2,1-2H3inchikeySXKFYDWIBCRCRI-UHFFFAOYSA-Npolar_surface_area87.36refractivity92.91polarizability36.96rotatable_bond_count2acceptor_count6donor_count1physiological_charge0formal_charge0Specdb::CMs22823Specdb::CMs43731Specdb::CMs174030Specdb::MsMs72891Specdb::MsMs72892Specdb::MsMs72893Specdb::MsMs131919Specdb::MsMs131920Specdb::MsMs131921Specdb::MsMs3039601Specdb::MsMs3039602Specdb::MsMs3039603Specdb::MsMs3100893Specdb::MsMs3100894Specdb::MsMs3100895HMDB34141#<Reference:0x000055567616c070>JicamaType 1specificPachyrhizus erosus109171PulsesUnknowngeneric