1.0 2010-04-08 22:15:08 UTC 2018-05-29 01:47:22 UTC FDB020598 Vinaginsenoside R12 Constituent of Panax vietnamensis (Vietnamese ginseng) Vinaginsenoside R12 C36H64O11 672.8868 672.44486289 2-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 156398-71-9 CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H64O11/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8,45)14-11-24(40)32(3,4)44)9-13-34(25,6)35(22,7)16-20(29(31)33)46-30-28(43)27(42)26(41)21(17-37)47-30/h18-30,37-45H,9-17H2,1-8H3 NUGXFAXZOUMRFJ-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 12-hydroxysteroids 3-hydroxysteroids Acetals Cyclic alcohols and derivatives Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols 12-hydroxysteroid 20-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Tertiary alcohol Triterpenoid logp 1.06 ALOGPS logs -3.48 ALOGPS solubility 2.22e-01 g/l ALOGPS logp 0.31 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-{[5,16-dihydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 672.8868 ChemAxon mono_mass 672.44486289 ChemAxon smiles CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H64O11 ChemAxon inchi InChI=1S/C36H64O11/c1-31(2)23(39)10-12-33(5)22-15-19(38)25-18(36(8,45)14-11-24(40)32(3,4)44)9-13-34(25,6)35(22,7)16-20(29(31)33)46-30-28(43)27(42)26(41)21(17-37)47-30/h18-30,37-45H,9-17H2,1-8H3 ChemAxon inchikey NUGXFAXZOUMRFJ-UHFFFAOYSA-N ChemAxon polar_surface_area 200.53 ChemAxon refractivity 173.59 ChemAxon polarizability 75.6 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 299401 Specdb::MsMs 299402 Specdb::MsMs 299403 Specdb::MsMs 341401 Specdb::MsMs 341402 Specdb::MsMs 341403 Specdb::MsMs 2260435 Specdb::MsMs 2260436 Specdb::MsMs 2260437 Specdb::MsMs 3077757 Specdb::MsMs 3077758 Specdb::MsMs 3077759 Specdb::CMs 15068 Specdb::CMs 704157 Specdb::CMs 704158 Specdb::CMs 704159 Specdb::CMs 704160 Specdb::CMs 704161 Specdb::CMs 704162 Specdb::CMs 704163 Specdb::CMs 704164 Specdb::CMs 704165 Specdb::CMs 704166 Specdb::CMs 704167 Specdb::CMs 704168 Specdb::CMs 704169 Specdb::CMs 704170 Specdb::CMs 704171 Specdb::CMs 704172 Specdb::CMs 704173 Specdb::CMs 704174 Specdb::CMs 704175 Specdb::CMs 704176 Specdb::CMs 704177 Specdb::CMs 704178 Specdb::CMs 704179 Specdb::CMs 704180 HMDB40782 #<Reference:0x000055ce322ff2a0>