1.02010-04-08 22:12:02 UTC2019-11-26 03:12:11 UTCFDB015771TheaspiraneConstituent of raspberry, yellow passion fruit, tea, wine grape, white wine, quince, cherimoya and black chokeberry. Flavouring ingredient [DFC]. Theaspirane is found in many foods, some of which are fruits, red raspberry, alcoholic beverages, and tea.(+/-)-Theaspirane1-Oxaspiro-2,6,10,10-tetramethyl(4.5)dec-6-ene2,6,10,10-Tetramethyl-1-oxa-spiro[4.5]dec-6-ene2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-ene2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene, 9CI2,6,10,10-Tetramethyl-oxa-spiro-dec-6-ene6,9-Epoxy-4-megastigmenecis-TheaspiraneFEMA 3774Theaspirane aTheaspirane bTheaspirane is ITheaspirane is IITheaspirane, ITheaspirane, IIC13H22O194.3132194.1670653262,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene36431-72-8CC1CCC2(O1)C(C)=CCCC2(C)CInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3GYUZHTWCNKINPY-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.TetrahydrofuransOrganic compoundsOrganoheterocyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundsDialkyl ethersHydrocarbon derivativesOxacyclic compoundsAliphatic heteropolycyclic compoundDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp4.29logs-3.79solubility3.19e-02 g/llogp3.45pka_strongest_basic-4.2iupac2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-eneaverage_mass194.3132mono_mass194.167065326smilesCC1CCC2(O1)C(C)=CCCC2(C)CformulaC13H22OinchiInChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3inchikeyGYUZHTWCNKINPY-UHFFFAOYSA-Npolar_surface_area9.23refractivity59.99polarizability23.59rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs2788Specdb::CMs174660Specdb::MsMs77430Specdb::MsMs77431Specdb::MsMs77432Specdb::MsMs137556Specdb::MsMs137557Specdb::MsMs137558Specdb::MsMs2691170Specdb::MsMs2691171Specdb::MsMs2691172Specdb::MsMs2990477Specdb::MsMs2990478Specdb::MsMs2990479HMDB36823#<Reference:0x0000555675b48630>Alcoholic beveragesUnknowngenericBlack teaType 1BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGrapeType 1specificVitis3603Green teaType 1Herbal teaType 1Red raspberryType 1specificRubus idaeus32247Red teaType 1TeaType 1specificCamellia sinensis4442greenherballeafmetallicspicyteatobaccowetwoody