Cas no 1309929-72-3 (Stevia impurity)

Stevia impurity structure
Stevia impurity structure
Product Name:Stevia impurity
CAS No:1309929-72-3
MF:C44H70O22
MW:951.01341676712
CID:2040992
PubChem ID:101803319
Update Time:2024-11-07

Stevia impurity Chemical and Physical Properties

Names and Identifiers

    • 13-[(2-O-6-deoxy-beta-D-glucopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-ent-kaur-16-en-19-oic acid beta-D-glucopyranosyl ester
    • AKOS040763513
    • CS-0998054
    • Stevia impurity (13-[(2-O-6-deoxy-??-D-glucopyranosyl-3-O-??-D-glucopyranosyl-??-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid ??-D-glucopyranosyl ester)
    • HY-N12599
    • Stevia impurity (13-[(2-O-6-deoxy-I(2)-D-glucopyranosyl-3-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]ent-kaur-16-en-19-oic acid I(2)-D-glucopyranosyl ester)
    • 13-[2-O-(6-Deoxy-beta-D-glucopyranosyl)-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyloxy]kaura-16-ene-18-oic acid beta-D-glucopyranosyl ester
    • Stevioside E
    • 1309929-72-3
    • Stevia impurity
    • 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
    • InChI Key: QSRAJVGDWKFOGU-UHFFFAOYSA-N
    • SMILES: CC1C(O)C(O)C(O)C(OC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)OC2OC23CCC4C(CCC5C(C(OC6C(O)C(O)C(O)C(CO)O6)=O)(C)CCCC54C)(CC2=C)C3)O1

Computed Properties

  • Exact Mass: 950.43587386g/mol
  • Monoisotopic Mass: 950.43587386g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 66
  • Rotatable Bond Count: 12
  • Complexity: 1740
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 26
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.3
  • Topological Polar Surface Area: 354?2

Stevia impurity Pricemore >>

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