1.02010-04-08 22:10:46 UTC2018-05-29 01:05:49 UTCFDB013540Rebaudioside CConstituent of Stevia rebaudiana (stevia)(-)-Rebaudioside CDulcoside BRebaudioside CC44H70O22951.0134950.4358739243,4,5-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-carboxylate3,4,5-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-carboxylate63550-99-2CC1OC(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)C1OInChI=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,1,5-16H2,2-4H3QSRAJVGDWKFOGU-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 glycosidesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosideslogp-1.14logs-1.94solubility1.10e+01 g/lmelting_pointMp 215-217°logp-2.9pka_strongest_acidic11.75pka_strongest_basic-3.6iupac3,4,5-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-carboxylateaverage_mass951.0134mono_mass950.435873924smilesCC1OC(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)C1OformulaC44H70O22inchiInChI=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,1,5-16H2,2-4H3inchikeyQSRAJVGDWKFOGU-UHFFFAOYSA-Npolar_surface_area353.9refractivity217.02polarizability98.43rotatable_bond_count12acceptor_count21donor_count13physiological_charge0formal_charge0Specdb::NmrOneD128608Specdb::NmrOneD128609Specdb::NmrOneD128610Specdb::NmrOneD128611Specdb::NmrOneD128612Specdb::NmrOneD128613Specdb::NmrOneD128614Specdb::NmrOneD128615Specdb::NmrOneD128616Specdb::NmrOneD128617Specdb::NmrOneD128618Specdb::NmrOneD128619Specdb::NmrOneD128620Specdb::NmrOneD128621Specdb::NmrOneD128622Specdb::NmrOneD128623Specdb::NmrOneD128624Specdb::NmrOneD128625Specdb::NmrOneD128626Specdb::NmrOneD128627Specdb::MsMs288709Specdb::MsMs288710Specdb::MsMs288711Specdb::MsMs327910Specdb::MsMs327911Specdb::MsMs327912Specdb::MsMs2835366Specdb::MsMs2835367Specdb::MsMs2835368Specdb::MsMs2872904Specdb::MsMs2872905Specdb::MsMs2872906HMDB34947#<Reference:0x0000555676237c70>