1.02010-04-08 22:10:54 UTC2019-11-26 03:09:02 UTCFDB013773Heliannuol DConstituent of Helianthus annuus (sunflower). Heliannuol D is found in sunflower and fats and oils.(+)-Heliannuol D2'-Deoxytetrahydrouridine3,4,5,6-Tetrahydrodeoxyuridine5,10-Epoxy-1,3,5-bisabolatriene-2,11-diolHeliannuol DTetrahydro-2'-deoxyuridineTHDUC15H22O3250.3334250.156894572-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol161730-09-2CC1CCC(OC2=C1C=C(O)C(C)=C2)C(C)(C)OInChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3BIIJJHXLFCDTIZ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).BenzoxepinesOrganic compoundsOrganoheterocyclic compoundsBenzoxepinesAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoidsAlkyl aryl ethersHydrocarbon derivativesOxacyclic compoundsTertiary alcohols1-hydroxy-2-unsubstituted benzenoidAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzoxepineEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycleTertiary alcohollogp3.10logs-2.95solubility2.83e-01 g/lmelting_pointMp 59-61°logp3.31pka_strongest_acidic10.34pka_strongest_basic-3.1iupac2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-olaverage_mass250.3334mono_mass250.15689457smilesCC1CCC(OC2=C1C=C(O)C(C)=C2)C(C)(C)OformulaC15H22O3inchiInChI=1S/C15H22O3/c1-9-5-6-14(15(3,4)17)18-13-7-10(2)12(16)8-11(9)13/h7-9,14,16-17H,5-6H2,1-4H3inchikeyBIIJJHXLFCDTIZ-UHFFFAOYSA-Npolar_surface_area49.69refractivity71.62polarizability28.35rotatable_bond_count1acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::CMs23545Specdb::CMs44215Specdb::CMs173252Specdb::MsMs95277Specdb::MsMs95278Specdb::MsMs95279Specdb::MsMs159501Specdb::MsMs159502Specdb::MsMs159503Specdb::MsMs2474036Specdb::MsMs2474037Specdb::MsMs2474038Specdb::MsMs2491463Specdb::MsMs2491464Specdb::MsMs2491465HMDB35137#<Reference:0x0000555675c10c70>Fats and oilsUnknowngenericSunflowerType 1specificHelianthus annuus4232