Deoxyshikonin

Base Information

Chemical Name:Deoxyshikonin
CAS No.:43043-74-9
Molecular Formula:C₁₆H₁₆O₄
Molecular Weight:272.301
Hs Code.:2914690090
European Community (EC) Number:678-136-0
NSC Number:179184
DSSTox Substance ID:DTXSID80195660
Nikkaji Number:J19.312G
Wikidata:Q27155446
Metabolomics Workbench ID:138538
Mol file:43043-74-9.mol

Synonyms:deoxyshikonin

Suppliers and Price of Deoxyshikonin

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

Arctom
Deoxyshikonin
20mg
$ 318.00

Arctom
Deoxyshikonin 95%
250mg
$ 1020.00

AvaChem
Deoxyshikonin
1mg
$ 79.00

AvaChem
Deoxyshikonin
5mg
$ 149.00

Biorbyt Ltd
Deoxyshikonin
10 mg
$ 513.40

Biorbyt Ltd
Deoxyshikonin
20 mg
$ 666.40

Biosynth Carbosynth
Deoxyshikonin
5 mg
$ 200.00

Biosynth Carbosynth
Deoxyshikonin
2 mg
$ 100.00

Biosynth Carbosynth
Deoxyshikonin
10 mg
$ 240.00

Biosynth Carbosynth
Deoxyshikonin
1 mg
$ 65.00

Total 40 raw suppliers

Chemical Property of Deoxyshikonin

Chemical Property:

Vapor Pressure:9.04E-11mmHg at 25°C
Melting Point:91°C
Boiling Point:503.7°Cat760mmHg
PKA:7.42±0.20(Predicted)
Flash Point:272.5°C
PSA：74.60000
Density:1.269g/cm³
LogP:3.14960
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:272.10485899
Heavy Atom Count:20
Complexity:471

Purity/Quality:

99%, ^*data from raw suppliers

Deoxyshikonin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CCCC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C

Technology Process of Deoxyshikonin

There total 2 articles about Deoxyshikonin 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: 0.35%

: 517-89-5
shikonin

: 43043-74-9
arnebin-7

: metaboshikonin II

: shikometabolin B

: shikometabolin A

Guidance literature:: In dimethyl sulfoxide; at 37 ℃; for 72h; Further byproducts given; pH 7.3 (phosphate buffer); general anaerobic medium, Bacteroides fragilis subsp. thetaotus;
DOI:10.1016/S0040-4020(01)81108-X