1.0 2010-04-08 22:12:15 UTC 2019-11-26 03:12:46 UTC FDB016123 Sanchinoside B1 Constituent of Panax notoginseng (sanchi). Sanchinoside B1 is found in tea. Sanchinoside B1 C36H62O9 638.8721 638.439383582 2-({5,16-dihydroxy-14-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({5,16-dihydroxy-14-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 97744-96-2 C\C(=C/CCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+ SLPPUMWTJMNBCW-VXLYETTFSA-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 Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols 12-hydroxysteroid 25-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Glycosyl compound Hexose monosaccharide 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 2.94 ALOGPS logs -4.13 ALOGPS solubility 4.75e-02 g/l ALOGPS melting_point Mp 144-146° logp 2.3 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -0.38 ChemAxon iupac 2-({5,16-dihydroxy-14-[(2E)-6-hydroxy-6-methylhept-2-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 638.8721 ChemAxon mono_mass 638.439383582 ChemAxon smiles C\C(=C/CCC(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C36H62O9 ChemAxon inchi InChI=1S/C36H62O9/c1-19(10-9-13-32(2,3)43)20-11-15-35(7)26(20)21(38)16-24-34(6)14-12-25(39)33(4,5)30(34)22(17-36(24,35)8)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/b19-10+ ChemAxon inchikey SLPPUMWTJMNBCW-VXLYETTFSA-N ChemAxon polar_surface_area 160.07 ChemAxon refractivity 171.4 ChemAxon polarizability 72.94 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 601060 Specdb::CMs 601061 Specdb::CMs 601062 Specdb::CMs 601063 Specdb::CMs 601064 Specdb::CMs 601065 Specdb::CMs 601066 Specdb::CMs 601067 Specdb::CMs 601068 Specdb::CMs 601069 Specdb::CMs 601070 Specdb::CMs 601071 Specdb::CMs 601072 Specdb::CMs 601073 Specdb::CMs 601074 Specdb::CMs 601075 Specdb::CMs 601076 Specdb::CMs 601077 Specdb::CMs 601078 Specdb::CMs 601079 Specdb::CMs 601080 Specdb::CMs 601081 Specdb::CMs 601082 Specdb::CMs 601083 Specdb::CMs 601084 Specdb::MsMs 62001 Specdb::MsMs 62002 Specdb::MsMs 62003 Specdb::MsMs 118650 Specdb::MsMs 118651 Specdb::MsMs 118652 Specdb::MsMs 2752693 Specdb::MsMs 2752694 Specdb::MsMs 2752695 Specdb::MsMs 2930091 Specdb::MsMs 2930092 Specdb::MsMs 2930093 HMDB37129 #<Reference:0x000055ce31e9fa70> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442