1.02011-03-17 23:28:03 UTC2019-11-26 03:20:48 UTCFDB02172611b,13-Dihydrolactucopicrin11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.11b,13-Dihydrolactucopicrin8,15-Dihydroxy-2-oxo-1(10),3,11(13)-guaiatrien-12,6-olide; (5a,6a,8a)-form, 11b,13-Dihydro, 8-(4-hydroxyphenylacetyl)C23H24O7412.4325412.1522031229-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetate125519-47-3CC1C2C(OC1=O)C1C(CO)=CC(=O)C1=C(C)CC2OC(=O)CC1=CC=C(O)C=C1InChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3ICJJPTZLMALYBH-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position.1-hydroxy-2-unsubstituted benzenoidsOrganic compoundsBenzenoidsPhenols1-hydroxy-2-unsubstituted benzenoidsAromatic heteropolycyclic compoundsBenzene and substituted derivativesCarboxylic acid estersDicarboxylic acids and derivativesGamma butyrolactonesHydrocarbon derivativesKetonesOrganic oxidesOxacyclic compoundsPrimary alcoholsTetrahydrofurans1-hydroxy-2-unsubstituted benzenoidAlcoholAromatic heteropolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesGamma butyrolactoneHydrocarbon derivativeKetoneLactoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePrimary alcoholTetrahydrofuranlogp1.86logs-3.93solubility4.83e-02 g/lmelting_pointMp 149-152? (di-Ac)logp1.81pka_strongest_acidic9.5pka_strongest_basic-2.8iupac9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 2-(4-hydroxyphenyl)acetateaverage_mass412.4325mono_mass412.152203122smilesCC1C2C(OC1=O)C1C(CO)=CC(=O)C1=C(C)CC2OC(=O)CC1=CC=C(O)C=C1formulaC23H24O7inchiInChI=1S/C23H24O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,12,17,20-22,24-25H,7-8,10H2,1-2H3inchikeyICJJPTZLMALYBH-UHFFFAOYSA-Npolar_surface_area110.13refractivity107.92polarizability41.78rotatable_bond_count5acceptor_count5donor_count2physiological_charge0formal_charge0Specdb::MsMs1234093Specdb::MsMs1234094Specdb::MsMs1234095Specdb::MsMs1349590Specdb::MsMs1349591Specdb::MsMs1349592Specdb::MsMs3606841Specdb::MsMs3606842Specdb::MsMs3606843Specdb::MsMs3606844Specdb::MsMs3606845Specdb::MsMs3606846ChicoryType 1specificCichorium intybus13427bitter732