1-Epi-castalagin

Base Information

Chemical Name:1-Epi-castalagin
CAS No.:36001-47-5
Molecular Formula:C41H26 O26
Molecular Weight:934.642
Hs Code.:
UNII:CE78QAZ4U2
ChEMBL ID:CHEMBL451228
Metabolomics Workbench ID:140066,143387
Nikkaji Number:J389.828H
Wikidata:Q105270642
Wikipedia:Castalagin

Synonyms:castalagin;vescalagin;vescalagin, (33beta)-isomer;vescalene;vescalin

Suppliers and Price of 1-Epi-castalagin

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

Sigma-Aldrich
Vescalagin analytical standard
5mg
$ 451.00

Sigma-Aldrich
Vescalagin phyproof? Reference Substance
5 mg
$ 153.00

Total 43 raw suppliers

Chemical Property of 1-Epi-castalagin

Chemical Property:

Boiling Point:°Cat760mmHg
PKA:4.07±0.40(Predicted)
Flash Point:°C
PSA：455.18000
Density:2.034g/cm³
LogP:1.31800
Storage Temp.:-20°C
XLogP3:0.9
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:0
Exact Mass:934.07123093
Heavy Atom Count:67
Complexity:1960

Purity/Quality:

99%, ^*data from raw suppliers

Vescalagin analytical standard ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Isomeric SMILES:C1[C@@H]2[C@H]([C@H]3[C@@H]4[C@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O

Technology Process of 1-Epi-castalagin

There total 3 articles about 1-Epi-castalagin 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:

: C₅₀H₃₇N₂O₂₇S₂⁽¹⁺⁾*Cl^(1-)

: 24312-00-3
castalagin

: 36001-47-5
castalagin

Guidance literature:: With water; at 20 ℃;
DOI:10.1002/ejoc.201402444

Reference yield:

: 118964-19-5
33-deoxy-33-carboxyvescalagin

: dehydrocastalagin

: deoxyvescalagin

: 24312-00-3
castalagin

: 36001-47-5
castalagin

Guidance literature:: at 180 ℃;
DOI:10.1021/jf070151m

Reference yield:

: β-1-S-butylvescalagin

: 36001-47-5
castalagin

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 0.5 h / 20 °C / Inert atmosphere

2: water / 20 °C

With water; In tetrahydrofuran;
DOI:10.1002/ejoc.201402444