1.02010-04-08 22:04:33 UTC2019-11-26 02:54:44 UTCFDB000406MurrayenolIsolated from roots of Murraya koenigii (curry leaf tree). Murrayenol is found in herbs and spices.MurrayenolC30H46O4470.6838470.339609965-(3,3-dimethyloxiran-2-yl)-3-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,9-dien-14-yl}oxolan-2-ol5-(3,3-dimethyloxiran-2-yl)-3-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,9-dien-14-yl}oxolan-2-olCC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12CInChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,12-13,17-19,21-25,31-32H,9-11,14-16H2,1-7H3IXMBCIFWOAKVNY-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAliphatic heteropolycyclic compounds3-hydroxy delta-1-steroids3-hydroxy delta-7-steroidsCholesterols and derivativesDelta-1-steroidsDelta-7-steroidsDialkyl ethersEpoxidesHemiacetalsHydrocarbon derivativesOxacyclic compoundsSecondary alcoholsTetrahydrofurans3-hydroxy-delta-1-steroid3-hydroxy-delta-7-steroid3-hydroxysteroidAlcoholAliphatic heteropolycyclic compoundCholestane-skeletonCholesterol-skeletonDelta-1-steroidDelta-7-steroidDialkyl etherEtherHemiacetalHydrocarbon derivativeHydroxysteroidOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxiraneSecondary alcoholSteroidTetrahydrofuranTriterpenoidlogp5.17logs-5.36solubility2.03e-03 g/lmelting_pointMp 234-236°logp4.82pka_strongest_acidic12.17pka_strongest_basic-1.2iupac5-(3,3-dimethyloxiran-2-yl)-3-{5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,9-dien-14-yl}oxolan-2-olaverage_mass470.6838mono_mass470.33960996smilesCC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12CformulaC30H46O4inchiInChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,12-13,17-19,21-25,31-32H,9-11,14-16H2,1-7H3inchikeyIXMBCIFWOAKVNY-UHFFFAOYSA-Npolar_surface_area62.22refractivity135.4polarizability55.25rotatable_bond_count2acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs26557Specdb::CMs41291Specdb::CMs168093Specdb::MsMs77439Specdb::MsMs77440Specdb::MsMs77441Specdb::MsMs137565Specdb::MsMs137566Specdb::MsMs137567Specdb::MsMs2674501Specdb::MsMs2674502Specdb::MsMs2674503Specdb::MsMs3034262Specdb::MsMs3034263Specdb::MsMs3034264HMDB29345#<Reference:0x00005556745cde68>Herbs and SpicesUnknowngeneric