1.0 2010-04-08 22:14:17 UTC 2019-11-26 03:17:23 UTC FDB019321 20,24-Epoxy-25,26-dihydroxydammaran-3-one Constituent of Mangifera indica (mango). 20,24-Epoxy-25,26-dihydroxydammaran-3-one is found in fruits. 20,24-Epoxy-25,26-dihydroxydammaran-3-one C30H50O4 474.7156 474.370910088 14-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one 14-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one 146830-04-8 CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C InChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3 LBWOQWCMNAJNNC-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds 1,2-diols 3-oxosteroids Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Tertiary alcohols Tetrahydrofurans Triterpenoids 1,2-diol 3-oxosteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Primary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpene saponin Triterpenoid logp 5.16 ALOGPS logs -5.95 ALOGPS solubility 5.35e-04 g/l ALOGPS melting_point Mp 143-144° logp 5.38 ChemAxon pka_strongest_acidic 13.26 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 14-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one ChemAxon average_mass 474.7156 ChemAxon mono_mass 474.370910088 ChemAxon smiles CC(O)(CO)C1CCC(C)(O1)C1CCC2(C)C1CCC1C3(C)CCC(=O)C(C)(C)C3CCC21C ChemAxon formula C30H50O4 ChemAxon inchi InChI=1S/C30H50O4/c1-25(2)21-11-16-28(5)22(26(21,3)14-12-23(25)32)9-8-19-20(10-15-27(19,28)4)30(7)17-13-24(34-30)29(6,33)18-31/h19-22,24,31,33H,8-18H2,1-7H3 ChemAxon inchikey LBWOQWCMNAJNNC-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 135.2 ChemAxon polarizability 56 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 8960 Specdb::MsMs 8961 Specdb::MsMs 8962 Specdb::MsMs 15632 Specdb::MsMs 15633 Specdb::MsMs 15634 Specdb::MsMs 2795015 Specdb::MsMs 2795016 Specdb::MsMs 2795017 Specdb::MsMs 2884514 Specdb::MsMs 2884515 Specdb::MsMs 2884516 Specdb::CMs 18370 Specdb::CMs 46517 Specdb::CMs 135122 Specdb::CMs 142856 HMDB39692 #<Reference:0x000055ce2e0dfaf0> Fruits Unknown generic