Bruceantinol

Base Information

Chemical Name:Bruceantinol
CAS No.:53729-52-5
Molecular Formula:C30H38O13
Molecular Weight:606.6149
Hs Code.:
ChEMBL ID:CHEMBL399894
DSSTox Substance ID:DTXSID70415102
Metabolomics Workbench ID:70197
Nikkaji Number:J20.618K
Wikidata:Q27105980
Mol file:53729-52-5.mol

Synonyms:bruceantinol;methyl (11beta,12alpha,15beta)-15-(((2E)-4-acetoxy-3,4-dimethyl-2-pentenoyl)oxy)-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate;picras-3-en-21-oic acid, 15-(((2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl)oxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-

Suppliers and Price of Bruceantinol

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

AvaChem
Syringetin-3-O-rutinoside
20mg
$ 690.00

AvaChem
Syringetin-3-O-rutinoside
10mg
$ 490.00

AvaChem
Syringetin-3-O-rutinoside
5mg
$ 290.00

AvaChem
Syringetin-3-O-rutinoside
1mg
$ 119.00

Total 10 raw suppliers

Chemical Property of Bruceantinol

Chemical Property:

Vapor Pressure:1.04E-28mmHg at 25°C
Boiling Point:788.2°Cat760mmHg
PKA:8.81±0.70(Predicted)
Flash Point:253.6°C
PSA：192.19000
Density:1.43g/cm³
LogP:0.83880
XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:606.23124126
Heavy Atom Count:43
Complexity:1360

Purity/Quality:

99%, ^*data from raw suppliers

Syringetin-3-O-rutinoside ^*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(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
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(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O

Technology Process of Bruceantinol

There total 3 articles about Bruceantinol 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:

Reference yield: