[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

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:

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 45 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

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:

99% ^*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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