Chemical Compound

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 Registry Number 100938-11-2
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 结构式
Primary record

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

库存
4,901 克
纯度
98.5 %
CAS
100938-11-2

化合物标识与属性

CAS
100938-11-2
PubChem CID
51346139
SMILES
CC(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+]
Canonical SMILES
C=C1[C@@H]2CCC3[C@@](CC[C@@H]4[C@H](C(=O)O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@@]34C)(C2)[C@H]1O.[Na+].[Na+]

名称与同义词

  • Atractyloside sodium salt
  • Atractyloside Disodium Salt
  • RefChem:560330
  • 100938-11-2
  • FT-0662333
  • 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
  • (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 Disodium Salt
  • 634-480-3