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[11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate

Base Information Edit
  • Chemical Name:[11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate
  • CAS No.:104987-36-2
  • Molecular Formula:C68H48 O44
  • Molecular Weight:1569.08
  • Hs Code.:
  • Wikidata:Q110077448
  • Mol file:104987-36-2.mol
[11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate

Synonyms:DTXSID301318227

Suppliers and Price of [11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Oenothein B
  • 2mg
  • $ 810.00
  • Sigma-Aldrich
  • Oenothein B ≥80% (HPLC)
  • 10mg
  • $ 931.00
  • American Custom Chemicals Corporation
  • OENOTHEIN B 95.00%
  • 5MG
  • $ 500.74
Total 46 raw suppliers
Chemical Property of [11,37-Diformyl-4,5,6,14,20,21,22,25,26,30,31,32,44,45,46,49,50,56-octadecahydroxy-9,17,35,41,53,59-hexaoxo-38-(3,4,5-trihydroxybenzoyl)oxy-2,10,16,28,36,40,54,60-octaoxanonacyclo[37.11.6.413,27.03,8.018,23.029,34.042,47.048,52.024,58]hexaconta-1(50),3,5,7,18,20,22,24,26,29,31,33,42,44,46,48,51,57-octadecaen-12-yl] 3,4,5-trihydroxybenzoate Edit
Chemical Property:
  • PKA:5.67±0.70(Predicted) 
  • PSA:732.84000 
  • Density:2.20±0.1 g/cm3(Predicted) 
  • LogP:2.17020 
  • Storage Temp.:2-8°C 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:24
  • Hydrogen Bond Acceptor Count:44
  • Rotatable Bond Count:8
  • Exact Mass:1568.1518448
  • Heavy Atom Count:112
  • Complexity:3360
Purity/Quality:

98% *data from raw suppliers

Oenothein B *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OCC(C(C(C(OC(=O)C6=CC(=C(C(=C6OC7=C(C(=C(C(=C7)C(=O)O2)C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O)O)O)C=O)OC(=O)C9=CC(=C(C(=C9)O)O)O)OC(=O)C1=CC(=C(C(=C15)O)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O
  • Uses Oenothein B is a a macrocyclic ellagitannin that can be obtained from certain plant species including Oenothera erythrosepala Bordas. Oenothein B displays antitumor activity against MM2 ascites tumor. It has an inhibitory effect on 5 alpha-reductase and aromatase.
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