4-Dehydrowithaferin A

Base Information

Chemical Name:4-Dehydrowithaferin A
CAS No.:6850-30-2
Molecular Formula:C28H36 O6
Molecular Weight:468.58
Hs Code.:
DSSTox Substance ID:DTXSID00988157
Wikidata:Q82976615
Metabolomics Workbench ID:126488
ChEMBL ID:CHEMBL2047415
Mol file:6850-30-2.mol

Synonyms:4-dehydrowithaferin A;4-DWA

Suppliers and Price of 4-Dehydrowithaferin A

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

Cayman Chemical
4-oxo Withaferin A
1mg
$ 71.00

Cayman Chemical
4-oxo Withaferin A
10mg
$ 352.00

Cayman Chemical
4-oxo Withaferin A
5mg
$ 211.00

AK Scientific
4-DehydrowithaferinA
1mg
$ 187.00

Total 0 raw suppliers

Chemical Property of 4-Dehydrowithaferin A

Chemical Property:

Vapor Pressure:2.94E-20mmHg at 25°C
Boiling Point:660.5°C at 760 mmHg
Flash Point:219.9°C
PSA：93.20000
Density:1.28g/cm³
LogP:3.56110
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:468.25118886
Heavy Atom Count:34
Complexity:1040

Purity/Quality:: 4-oxo Withaferin A ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6=O)C)O5)C)CO
Isomeric SMILES:CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=CC6=O)C)O5)C)CO

Technology Process of 4-Dehydrowithaferin A

There total 4 articles about 4-Dehydrowithaferin A 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: 99.0%

: 1214886-31-3
27-O-(tert-butyldimethylsilyl)-4-dehydroxy-4-oxo-withaferin A

: 6850-30-2
4-dehydroxy-4-oxowithaferin A

Guidance literature:: With Dowex 50WX₈-200; In acetone; at 20 ℃; for 24h;
DOI:10.1016/j.ejmech.2012.05.032

Reference yield: 62.0%

: 5119-48-2
withaferin-A

: 6850-30-2
4-dehydroxy-4-oxowithaferin A

Guidance literature:: With manganese(IV) oxide; In chloroform; ethyl acetate; at 25 ℃; for 16h;

Reference yield:

: 1392820-18-6
withaferin A 27-tert-butyldimethylsilyl ether

: 6850-30-2
4-dehydroxy-4-oxowithaferin A

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine; chromium(VI) oxide / dichloromethane / 6 h / 20 °C

2: Dowex 50WX₈-200 / acetone / 24 h / 20 °C

With pyridine; chromium(VI) oxide; In dichloromethane; acetone;
DOI:10.1016/j.ejmech.2012.05.032