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methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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 (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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.:14907-99-4
  • Molecular Formula:C32H38 O14
  • Molecular Weight:646.645
  • Hs Code.:
  • Mol file:14907-99-4.mol
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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:

Suppliers and Price of methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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
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Total 0 raw suppliers
Chemical Property of methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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:4.13E-22mmHg at 25°C 
  • Boiling Point:745.7°Cat760mmHg 
  • Flash Point:307.6°C 
  • Density:1.38g/cm3 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:14
  • Rotatable Bond Count:11
  • Exact Mass:646.22615588
  • Heavy Atom Count:46
  • Complexity:1490
Purity/Quality:
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)OC(=O)C)OC(=O)C)C)OC(=O)C
  • Isomeric SMILES:CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)OC(=O)C)OC(=O)C)C)OC(=O)C
Technology Process of methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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 2 articles about methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-triacetyloxy-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 dmap; In dichloromethane; for 3h; Ambient temperature;
DOI:10.1021/jo00289a027
Guidance literature:
Bruceosid-B (2), Acetolyse mit Ac2O/ZnCl2;
DOI:10.1021/jo01327a031
Guidance literature:
With sulfuric acid; In methanol; for 30h; Yield given; Heating;
DOI:10.1021/jo00289a027
upstream raw materials:

Brusatol

acetic anhydride

Downstream raw materials:

Brusatol

11-O-Acetylbrusatol

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