1.0 2010-04-08 22:04:33 UTC 2019-11-26 02:54:44 UTC FDB000406 Murrayenol Isolated from roots of Murraya koenigii (curry leaf tree). Murrayenol is found in herbs and spices. Murrayenol C30H46O4 470.6838 470.33960996 5-(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-ol 5-(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-ol CC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12C InChI=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,9-11,14-16H2,1-7H3 IXMBCIFWOAKVNY-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 3-hydroxy delta-1-steroids 3-hydroxy delta-7-steroids Cholesterols and derivatives Delta-1-steroids Delta-7-steroids Dialkyl ethers Epoxides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Secondary alcohols Tetrahydrofurans 3-hydroxy-delta-1-steroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Cholestane-skeleton Cholesterol-skeleton Delta-1-steroid Delta-7-steroid Dialkyl ether Ether Hemiacetal Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Secondary alcohol Steroid Tetrahydrofuran Triterpenoid logp 5.17 ALOGPS logs -5.36 ALOGPS solubility 2.03e-03 g/l ALOGPS melting_point Mp 234-236° logp 4.82 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 5-(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-ol ChemAxon average_mass 470.6838 ChemAxon mono_mass 470.33960996 ChemAxon smiles CC1(C)OC1C1CC(C(O)O1)C1CCC2(C)C3=CCC4C(C)(C)C(O)C=CC4(C)C3CCC12C ChemAxon formula C30H46O4 ChemAxon inchi InChI=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,9-11,14-16H2,1-7H3 ChemAxon inchikey IXMBCIFWOAKVNY-UHFFFAOYSA-N ChemAxon polar_surface_area 62.22 ChemAxon refractivity 135.4 ChemAxon polarizability 55.25 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26557 Specdb::CMs 41291 Specdb::CMs 168093 Specdb::MsMs 77439 Specdb::MsMs 77440 Specdb::MsMs 77441 Specdb::MsMs 137565 Specdb::MsMs 137566 Specdb::MsMs 137567 Specdb::MsMs 2674501 Specdb::MsMs 2674502 Specdb::MsMs 2674503 Specdb::MsMs 3034262 Specdb::MsMs 3034263 Specdb::MsMs 3034264 HMDB29345 #<Reference:0x000056127303cd80> Herbs and Spices Unknown generic