Cas no 17754-44-8 (dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside)

dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside structure
17754-44-8 structure
Product Name:dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside
CAS No:17754-44-8
MF:C30H44K2O16S2
MW:802.987370491028
CID:1364127
PubChem ID:442004
Update Time:2025-04-20

dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside
    • dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]na
    • dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyrano
    • Atractylin dipotassium salt
    • Potassium atractylate
    • Atractylic acid dipotassium salt
    • Atractyloside
    • Atractylin (C30 glucoside)
    • (1R,4R,5R,7R,9R,10S,13R,15S)-15-Hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • ATRACTYLOSIDE SODIUM SALT(RG)
    • Attrattiloside [Italian]
    • UNII-H6WC6L09RM
    • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy]-, dipotassium salt, (2beta,4alpha,15alpha)-
    • Attrattiloside
    • Atractylin, potassium salt
    • H6WC6L09RM
    • dipotassium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
    • C09064
    • Q27105880
    • CHEBI:2913
    • EINECS 241-744-8
    • Acid, Atractylic
    • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, dipotassium salt, (2beta,4alpha,15alpha)-
    • 17754-44-8
    • ATRACTYLIC ACID, DIPOTASSIUM SALT
    • (2beta,4alpha,15alpha)-15-Hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid potassium salt (1:2)
    • ATRACTYLOSIDE [MI]
    • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl]oxy]-, potassium salt (1:2), (2beta,4alpha,15alpha)-
    • Atractylate de potassium [French]
    • DTXSID201339886
    • Atractylate de potassium
    • 15-Hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-19-norkaur-16-en-18-oic acid dipotassium salt, (2beta,4alpha,15alpha)-
    • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-((2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-beta-D-glucopyranosyl)oxy)-, (2beta,4alpha,15alpha)-
    • Dipotassium hydrogen 15alpha-hydroxy-2beta-((2-O-isovaleryl-3,4alpha-di-O-sulphonato-beta-D-glucopyranosyl)oxy)-19-norkaur-16-en-18-oate
    • atractyloside, potassium salt
    • 19-NORKAUR-16-EN-18-OIC ACID, 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-BETA-D-GLUCOPYRANOSYL)OXY)-, POTASSIUM SALT (1:2), (2BETA,4ALPHA,15ALPHA)-
    • 19-NORKAUR-16-EN-18-OIC ACID, 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)OXY)-, POTASSIUM SALT (1:2), (2.BETA.,4.ALPHA.,15.ALPHA.)-
    • 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)OXY)-19-NORKAUR-16-EN-18-OIC ACID DIPOTASSIUM SALT, (2.BETA.,4.ALPHA.,15.ALPHA.)-
    • Atractylate
    • Dipotassium hydrogen 15alpha-hydroxy-2beta-[[2-O-isovaleryl-3,4alpha-di-O-sulphonato-beta-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oate
    • DIPOTASSIUM HYDROGEN 15.ALPHA.-HYDROXY-2.BETA.-((2-O-ISOVALERYL-3,4.ALPHA.-DI-O-SULPHONATO-.BETA.-D-GLUCOPYRANOSYL)OXY)-19-NORKAUR-16-EN-18-OATE
    • 19-NORKAUR-16-EN-18-OIC ACID, 15-HYDROXY-2-((2-O-(3-METHYL-1-OXOBUTYL)-3,4-DI-O-SULFO-.BETA.-D-GLUCOPYRANOSYL)OXY)-, DIPOTASSIUM SALT, (2.BETA.,4.ALPHA.,15.ALPHA.)-
    • Inchi： 1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1
    • InChI Key： IUCNQFHEWLYECJ-FNAJZLPOSA-L
    • SMILES： [K+].[K+].S(=O)(=O)([O-])O[C@H]1[C@@H]([C@@H](CO)O[C@H]([C@@H]1OC(CC(C)C)=O)O[C@@H]1C[C@@H](C(=O)O)[C@H]2CC[C@]34[C@H](C(=C)[C@H](CC[C@H]3[C@]2(C)C1)C4)O)OS(=O)(=O)[O-]

Computed Properties

  • Exact Mass: 802.13400
  • Monoisotopic Mass: 802.134
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 10
  • Complexity: 1440
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 272A^2
  • XLogP3: -0.177

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 272.14000
  • LogP: 2.15130
  • Specific Rotation: D20 -53° (water)

dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside Pricemore >>

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dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside Related Literature

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17754-44-8 (dipotassium (2R,4R,4aR,6aR,7S,9S,11bR)-4-carboxy-7-hydroxy-11b-methyl-8-methylidenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-2-yl 2-O-(3-methylbutanoyl)-3,4-di-O-sulfonato-alpha-D-glucopyranoside) Related Products

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