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Dehydrogeraniin

Base Information
  • Chemical Name:Dehydrogeraniin
  • CAS No.:81967-70-6
  • Molecular Formula:C41H28O28
  • Molecular Weight:968.6442
  • Hs Code.:
Dehydrogeraniin

Synonyms:Dehydrogeraniin;81967-70-6;beta-D-Glucopyranose, cyclic 2-7:4-:3-7':6-5'-bis((2R,6R)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate) 1-(3,4,5-trihydroxybenzoate);.beta.-D-Glucopyranose, cyclic 2.fwdarw.7:4.fwdarw.5:3.fwdarw.7':6.fwdarw. 5'-bis[(2R,6R)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H- 1-benzoxocin-5,7-dicarboxylate] 1-(3,4,5-trihydroxybenzoate)

Suppliers and Price of Dehydrogeraniin
Supply Marketing:
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The product has achieved commercial mass production*data from LookChem market partment
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Chemical Property of Dehydrogeraniin
Chemical Property:
  • PKA:6.30±0.70(Predicted) 
  • PSA:456.32000 
  • Density:2.28g/cm3 
  • LogP:-3.84990 
  • XLogP3:-3.3
  • Hydrogen Bond Donor Count:13
  • Hydrogen Bond Acceptor Count:28
  • Rotatable Bond Count:3
  • Exact Mass:968.07671023
  • Heavy Atom Count:69
  • Complexity:2320
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C9=C8C2C(=CC(=O)C(C2(O)O)(O9)O)C(=O)O1)O)O
  • Isomeric SMILES:C1[C@@H]2[C@@H]3[C@@H](C([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@@H]7C(=CC(=O)[C@@](C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C9=C8[C@@H]2C(=CC(=O)[C@@](C2(O)O)(O9)O)C(=O)O1)O)O
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