1.0 2010-04-08 22:10:46 UTC 2018-05-29 01:05:49 UTC FDB013540 Rebaudioside C Constituent of Stevia rebaudiana (stevia) (-)-Rebaudioside C Dulcoside B Rebaudioside C C44H70O22 951.0134 950.435873924 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate 63550-99-2 CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3 QSRAJVGDWKFOGU-UHFFFAOYSA-N belongs to the class of organic compounds known as steviol glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically linked to a steviol (a diterpenoid based on a 13-Hydroxykaur-16-en-18-oic acid) moiety. Steviol glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds Acetals Carbonyl compounds Carboxylic acid esters Fatty acyl glycosides Hydrocarbon derivatives Kaurane diterpenoids Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Diterpenoid Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Kaurane diterpenoid Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steviol glycoside logp -1.14 ALOGPS logs -1.94 ALOGPS solubility 1.10e+01 g/l ALOGPS melting_point Mp 215-217° logp -2.9 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 13-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate ChemAxon average_mass 951.0134 ChemAxon mono_mass 950.435873924 ChemAxon smiles CC1OC(OC2C(OC34CC5(CC3=C)CCC3C(C)(CCCC3(C)C(=O)OC3OC(CO)C(O)C(O)C3O)C5CC4)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C44H70O22 ChemAxon inchi InChI=1S/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-38-33(57)30(54)26(50)20(14-46)61-38)23(43)7-11-44(17,16-43)66-39-35(64-36-31(55)28(52)24(48)18(2)59-36)34(27(51)21(15-47)62-39)63-37-32(56)29(53)25(49)19(13-45)60-37/h18-39,45-57H,1,5-16H2,2-4H3 ChemAxon inchikey QSRAJVGDWKFOGU-UHFFFAOYSA-N ChemAxon polar_surface_area 353.9 ChemAxon refractivity 217.02 ChemAxon polarizability 98.43 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 128608 Specdb::NmrOneD 128609 Specdb::NmrOneD 128610 Specdb::NmrOneD 128611 Specdb::NmrOneD 128612 Specdb::NmrOneD 128613 Specdb::NmrOneD 128614 Specdb::NmrOneD 128615 Specdb::NmrOneD 128616 Specdb::NmrOneD 128617 Specdb::NmrOneD 128618 Specdb::NmrOneD 128619 Specdb::NmrOneD 128620 Specdb::NmrOneD 128621 Specdb::NmrOneD 128622 Specdb::NmrOneD 128623 Specdb::NmrOneD 128624 Specdb::NmrOneD 128625 Specdb::NmrOneD 128626 Specdb::NmrOneD 128627 Specdb::MsMs 288709 Specdb::MsMs 288710 Specdb::MsMs 288711 Specdb::MsMs 327910 Specdb::MsMs 327911 Specdb::MsMs 327912 Specdb::MsMs 2835366 Specdb::MsMs 2835367 Specdb::MsMs 2835368 Specdb::MsMs 2872904 Specdb::MsMs 2872905 Specdb::MsMs 2872906 HMDB34947 #<Reference:0x000055ce31f402e0>