1-O-Galloylpedunculagin

Base Information Edit

Chemical Name:1-O-Galloylpedunculagin
CAS No.:79786-00-8
Molecular Formula:C₄₁H₂₈O₂₆
Molecular Weight:936.658
Hs Code.:
DSSTox Substance ID:DTXSID501318192
Wikidata:Q104390224
Mol file:79786-00-8.mol

Synonyms:1-O-Galloylpedunculagin;Potentillin;D0F9KV;SCHEMBL1430141;DTXSID501318192;Q5050928;(7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 3,4,5-trihydroxybenzoate;82262-94-0

Suppliers and Price of 1-O-Galloylpedunculagin

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 1-O-Galloylpedunculagin Edit

Chemical Property:

Boiling Point:1662.7±65.0 °C(Predicted)
PKA:7.54±0.40(Predicted)
PSA：444.18000
Density:2.23±0.1 g/cm3(Predicted)
LogP:1.64690
XLogP3:2.1
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:3
Exact Mass:936.08688099
Heavy Atom Count:67
Complexity:1860

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Technology Process of 1-O-Galloylpedunculagin

There total 2 articles about 1-O-Galloylpedunculagin 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: 76.0%

: C₇₆H₅₈O₂₆

: 79786-00-8,82262-94-0,100937-83-5,121153-23-9
casuarictin

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In acetone; at 20 ℃; for 3h;
DOI:10.1002/anie.201708703

Reference yield: 72.0%

: 1-O-(3,4,5-tri-O-benzylgalloyl)-2,3-O-(R)-[4,4',5,5',6,6'-hexabenzyloxy-1,1'-biphenyl-2,2'-dicarboxylate]-4,6-O-(S)-[4,4',5,5',6,6'-hexabenzyloxy-1,1'-biphenyl-2,2'-dicarboxylate]-β-D-glucopyranose

: 79786-00-8,82262-94-0,100937-83-5,121153-23-9
casuarictin

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 1.5h;
DOI:10.1021/jo400562k