Products 100938-11-2

CAS 100938-11-2 is the registry number for Atractyloside sodium salt. Offered by: Biosynth. Available pack sizes: 5mg, 2mg.

Atractyloside sodium salt
Biosynth
  • size: 5mg, 2mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Disodium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,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 (CAS 100938-11-2) is a chemical compound with the molecular formula C30H44Na2O16S2 and a molecular weight of 770.8 g/mol. IUPAC name: disodium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,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. InChIKey: NFANIWBAUMYKQE-NXBYREHHSA-L.

Identity
Molecular formulaC30H44Na2O16S2
Molecular weight770.8 g/mol
IUPAC namedisodium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,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
InChIKeyNFANIWBAUMYKQE-NXBYREHHSA-L
SMILESCC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CCC4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Atractyloside sodium salt