1.02010-04-08 22:12:02 UTC2019-11-26 03:12:10 UTCFDB015765VitispiraneConstituent of the juice of wine grape (Vitis vinifera). Vitispirane is found in alcoholic beverages, fruits, and common grape.2,10,10-Trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene6,9-Epoxy-3,5(13)-megastigmadieneC13H20O192.302192.1514152642,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-ene65416-59-3CC1CCC2(O1)C(=C)C=CCC2(C)CInChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3DUPDJVDPPBFBPL-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 compoundOxacycleTetrahydrofuranlogp4.25logs-3.95solubility2.14e-02 g/llogp3.15pka_strongest_basic-4.2iupac2,10,10-trimethyl-6-methylidene-1-oxaspiro[4.5]dec-7-eneaverage_mass192.302mono_mass192.151415264smilesCC1CCC2(O1)C(=C)C=CCC2(C)CformulaC13H20OinchiInChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3inchikeyDUPDJVDPPBFBPL-UHFFFAOYSA-Npolar_surface_area9.23refractivity60.03polarizability22.83rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs3267Specdb::CMs175128Specdb::NmrOneD264928Specdb::NmrOneD264929Specdb::NmrOneD264930Specdb::NmrOneD264931Specdb::NmrOneD264932Specdb::NmrOneD264933Specdb::NmrOneD264934Specdb::NmrOneD264935Specdb::NmrOneD264936Specdb::NmrOneD264937Specdb::NmrOneD264938Specdb::NmrOneD264939Specdb::NmrOneD264940Specdb::NmrOneD264941Specdb::NmrOneD264942Specdb::NmrOneD264943Specdb::NmrOneD264944Specdb::NmrOneD264945Specdb::NmrOneD264946Specdb::NmrOneD264947Specdb::MsMs68712Specdb::MsMs68713Specdb::MsMs68714Specdb::MsMs126813Specdb::MsMs126814Specdb::MsMs126815Specdb::MsMs2378317Specdb::MsMs2378318Specdb::MsMs2378319Specdb::MsMs2557209Specdb::MsMs2557210Specdb::MsMs2557211HMDB36818#<Reference:0x0000555675b4fdb8>Alcoholic beveragesUnknowngenericBlackberryType 1specificRubusCommon grapeType 1specificVitis vinifera29760Evergreen blackberryType 1specificRubus laciniatusFruitsUnknowngenericGrapeType 1specificVitis3603Grape wineType 2specificearthyfloralfruitywoody