Paeonolide

Base Information

Chemical Name:Paeonolide
CAS No.:72520-92-4
Molecular Formula:C20H28O12
Molecular Weight:460.435
Hs Code.:
DSSTox Substance ID:DTXSID20993369
Nikkaji Number:J467.039F
Wikidata:Q27107606
Metabolomics Workbench ID:69521
ChEMBL ID:CHEMBL1080061
Mol file:72520-92-4.mol

Synonyms:Paeonolide;72520-92-4;CHEMBL1080061;CHEBI:7891;C10715;1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone;AC1L9DNN;DTXSID20993369;CHEBI:718640;HY-N2156;XCA52092;BDBM50310721;MFCD20265600;AKOS030573577;CS-0019456;Q27107606;2-Acetyl-5-methoxyphenyl 6-O-pentopyranosylhexopyranoside;1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-phenyl]ethanone

Suppliers and Price of Paeonolide

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

Usbiological
Paeonolide
20mg
$ 581.00

TCI Chemical
Paeonolide >97.0%(HPLC)
10mg
$ 373.00

Medical Isotopes, Inc.
Paeonolide 98%
20 mg
$ 733.00

ChemScene
Paeonolide
5mg
$ 303.00

ChemScene
Paeonolide
10mg
$ 514.00

Chem-Impex
Paeonolide,98%(HPLC) 98%(HPLC)
5MG
$ 476.00

Biorbyt Ltd
Paeonolide 98%
20 mg
$ 591.60

Biorbyt Ltd
Paeonolide 98%
10 mg
$ 499.80

AvaChem
Paeonolide
5mg
$ 339.00

Arctom
Paeonolide
10mg
$ 294.55

Total 46 raw suppliers

Chemical Property of Paeonolide

Chemical Property:

Vapor Pressure:1.31E-23mmHg at 25°C
Melting Point:197°C(dec.)(lit.)
Boiling Point:749.7°Cat760mmHg
PKA:12.75±0.70(Predicted)
Flash Point:261.2°C
PSA：184.60000
Density:1.54g/cm³
LogP:-2.46020
XLogP3:-2.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:460.15807632
Heavy Atom Count:32
Complexity:619

Purity/Quality:

≥98% ^*data from raw suppliers

Paeonolide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
Isomeric SMILES:CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O

Technology Process of Paeonolide

There total 2 articles about Paeonolide 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: