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Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Base Information Edit
  • Chemical Name:Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
  • CAS No.:14907-98-3
  • Molecular Formula:C26H32 O11
  • Molecular Weight:520.533
  • Hs Code.:
  • NSC Number:172924
  • Wikidata:Q105387234
  • Pharos Ligand ID:8NJM9VSL95T5
  • ChEMBL ID:CHEMBL1702665
  • Mol file:14907-98-3.mol
Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Synonyms:brusatol

Suppliers and Price of Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
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
  • (+)-Brusatol
  • 5mg
  • $ 315.00
  • Matrix Scientific
  • Picras-3-en-21-oic acid
  • 50mg
  • $ 2340.00
  • Matrix Scientific
  • Picras-3-en-21-oic acid
  • 25mg
  • $ 1486.00
  • Crysdot
  • Brusatol 98%
  • 10mg
  • $ 249.00
  • ChemScene
  • Brusatol 99.89%
  • 10mg
  • $ 280.00
  • ChemScene
  • Brusatol 99.89%
  • 5mg
  • $ 160.00
  • Chemenu
  • Brusatol 98%
  • 100mg
  • $ 916.00
  • Biosynth Carbosynth
  • Brusatol
  • 1 mg
  • $ 25.00
  • Biosynth Carbosynth
  • Brusatol
  • 2 mg
  • $ 75.00
  • Biosynth Carbosynth
  • Brusatol
  • 5 mg
  • $ 100.00
Total 77 raw suppliers
Chemical Property of Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate Edit
Chemical Property:
  • Vapor Pressure:3.18E-24mmHg at 25°C 
  • Boiling Point:724.3°Cat760mmHg 
  • PKA:8.81±0.70(Predicted) 
  • Flash Point:242.2°C 
  • PSA:165.89000 
  • Density:1.46g/cm3 
  • LogP:0.51700 
  • Storage Temp.:-20°C 
  • XLogP3:0.9
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:11
  • Rotatable Bond Count:5
  • Exact Mass:520.19446183
  • Heavy Atom Count:37
  • Complexity:1150
Purity/Quality:

(+)-Brusatol *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
  • Uses Brusatol has been used to study the protective role of Nrf2 (nuclear factor, erythroid 2 like 2 ) in intestinal ischemia/reperfusion induced injury.
Technology Process of Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

There total 4 articles about Methyl 10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With sulfuric acid; In methanol; for 6h; Heating;
DOI:10.1016/S0968-0896(97)00095-3
Guidance literature:
With sulfuric acid; In methanol; for 30h; Yield given; Heating;
DOI:10.1021/jo00289a027
upstream raw materials:

bruceoside A

11,12-diacetoxybrusatol-3-yl acetate

methanol

bruceoside-D

Downstream raw materials:

Bruceolid

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