1.02010-04-08 22:10:47 UTC2019-11-26 03:08:35 UTCFDB013553Edulan IKey flavour constituent in purple passion fruit (Passiflora edulis). Edulan I is found in fruits.Edulan ITrans-edulanC13H20O192.2973192.1514152622,5,5,8a-tetramethyl-3,5,6,8a-tetrahydro-2H-1-benzopyran2,5,5,8a-tetramethyl-3,6-dihydro-2H-1-benzopyran41678-29-9CC1CC=C2C(C)(C)CC=CC2(C)O1InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3HUXGOQHTDHIKSS-UHFFFAOYSA-N belongs to the class of organic compounds known as benzopyrans. These are organic compounds containing a benzene ring fused to a pyran ring. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.BenzopyransOrganic compoundsOrganoheterocyclic compoundsBenzopyransAliphatic heteropolycyclic compoundsDialkyl ethersHydrocarbon derivativesOxacyclic compoundsPyransAliphatic heteropolycyclic compoundBenzopyranDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacyclePyranlogp4.47logs-3.49solubility6.23e-02 g/llogp3.01pka_strongest_basic-4.2iupac2,5,5,8a-tetramethyl-3,5,6,8a-tetrahydro-2H-1-benzopyranaverage_mass192.2973mono_mass192.151415262smilesCC1CC=C2C(C)(C)CC=CC2(C)O1formulaC13H20OinchiInChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3inchikeyHUXGOQHTDHIKSS-UHFFFAOYSA-Npolar_surface_area9.23refractivity61.18polarizability23.1rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs3076Specdb::CMs153572Specdb::MsMs92763Specdb::MsMs92764Specdb::MsMs92765Specdb::MsMs156444Specdb::MsMs156445Specdb::MsMs156446Specdb::MsMs3054212Specdb::MsMs3054213Specdb::MsMs3054214Specdb::MsMs3115692Specdb::MsMs3115693Specdb::MsMs3115694FruitsUnknowngeneric