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    Stevioside

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    ANALYTICAL

    PharmaCompass
    $ API Ref.Price (USD/KG) : 83Xls

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    2D Structure
    Also known as: 57817-89-7, Steviosin, Diterpene glycoside, Chebi:9271, 0yon5mxj9p, 13-[(2-o-.beta.-d-glucopyranosyl-.alpha.-d-glucopyranosyl)oxy]kaur-16-en-18-oic acid .beta.-d-glucopyranosyl ester
    Molecular Formula
    C38H60O18
    Molecular Weight
    804.9  g/mol
    InChI Key
    UEDUENGHJMELGK-HYDKPPNVSA-N
    FDA UNII
    0YON5MXJ9P
    stevioside is a natural product found in Asteraceae and Stevia rebaudiana with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
    2.1.2 InChI
    InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1
    2.1.3 InChI Key
    UEDUENGHJMELGK-HYDKPPNVSA-N
    2.1.4 Canonical SMILES
    CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
    2.1.5 Isomeric SMILES
    C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    0YON5MXJ9P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Steviol Glycoside

    2.3.2 Depositor-Supplied Synonyms

    1. 57817-89-7

    2. Steviosin

    3. Diterpene Glycoside

    4. Chebi:9271

    5. 0yon5mxj9p

    6. 13-[(2-o-.beta.-d-glucopyranosyl-.alpha.-d-glucopyranosyl)oxy]kaur-16-en-18-oic Acid .beta.-d-glucopyranosyl Ester

    7. C09189

    8. Unii-0yon5mxj9p

    9. Chembl444122

    10. Rebaudin

    11. Ccris 6116

    12. Eupatorin?

    13. Mfcd00079561

    14. Stevin?

    15. Einecs 260-975-5

    16. Stevibioside

    17. Brn 0077427

    18. Stevioside [mi]

    19. .alpha.-g-sweet

    20. Stevioside [inci]

    21. (-)-stevioside

    22. Stevian 50

    23. Stevioside [mart.]

    24. Stevioside [usp-rs]

    25. Schembl33428

    26. 4-17-00-03618 (beilstein Handbook Reference)

    27. Ins No.960

    28. Dtxsid7021281

    29. Fema No. 4763

    30. Ins-960

    31. Hy-n0669

    32. Bdbm50480264

    33. Akos015895872

    34. Zinc245224268

    35. Cs-w019786

    36. Ds-6711

    37. E-960

    38. N1708

    39. Q415043

    40. (4.alpha.)-13-((2-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)kaur-16-en-18-oic Acid .beta.-d-glucopyranosyl Ester

    41. (4alpha)-beta-d-glucopyranosyl 13-((2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy)kaur-16-en-18-oate

    42. [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-dimethyl-methylene-[?]carboxylate

    43. 1-o-{(5beta,8alpha,9beta,10alpha,13alpha)-13-[(2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]-18-oxokaur-16-en-18-yl}-beta-d-glucopyranose

    44. 1-o-{13alpha-[(2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl}-beta-d-glucopyranose

    45. 13-[(2-o-beta-d-glucopyranosyl-beta-d-glucopyranosyl)oxy]kaur-16-en-18-oic Acid Beta-d-glucopyranosyl Ester

    46. Beta-d-glucopyranosyl(1r,4as,7s,8ar,10as)-7-(2-o-(beta-d-glucopyranosyl)-alpha-d-glucopyranosyloxy)-1,4a-dimethyl-12-methyleneperhydro-7,8a-ethanophenanthren-1-carboxylate

    47. Kaur-16-en-18-oic Acid, 13-((2-o-.beta.-d-glucopyranosyl-.beta.-d-glucopyranosyl)oxy)-, .beta.-d-glucopyranosyl Ester, (4.alpha.)-

    48. Kaur-16-en-18-oic Acid, 13-((2-o-beta-d-glucopyranosyl-alpha-d-glucopyranosyl)oxy)-, Beta-d-glucopyranosyl Ester

    49. Kaur-16-en-18-oic Acid,13-[(2-o-b-d-glucopyranosyl-b-d-glucopyranosyl)oxy]-,b-d-glucopyranosyl Ester, (4a)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 804.9 g/mol
    Molecular Formula C38H60O18
    XLogP3-1.2
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count10
    Exact Mass804.37796506 g/mol
    Monoisotopic Mass804.37796506 g/mol
    Topological Polar Surface Area295 Ų
    Heavy Atom Count56
    Formal Charge0
    Complexity1450
    Isotope Atom Count0
    Defined Atom Stereocenter Count21
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Sweetening Agents

    Substances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Sweetening Agents.)