Sissotrin

Base Information Edit

Chemical Name:Sissotrin
CAS No.:5928-26-7
Molecular Formula:C22H22O10
Molecular Weight:446.411
Hs Code.:
UNII:2F2SK16U1X
ChEMBL ID:CHEMBL3426809
Metabolomics Workbench ID:51834
Nikkaji Number:J14.104F
Wikidata:Q23372518
Mol file:5928-26-7.mol

Synonyms:Sissotrin;5928-26-7;5-Hydroxyl ononin;Sissotrin [MI];biochanin A 7-O-beta-D-glucoside;Biochanin A glucoside;Biochanin A 7-glucoside;2F2SK16U1X;BIOCHANINA-7-O-GLUCOSIDE;CHEBI:28751;5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside;4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-;5-hydroxy-3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one;biochanin A-7-O-glucoside;UNII-2F2SK16U1X;Biochanin A-beta-D-glucoside;Biochanin A 7-o-beta-glucoside;NSC-289565;Biochanin A 7-beta-D-glucopyranoside;starbld0009535;C05376;Sissotrin, ~95% (TLC);MEGxp0_000435;BIOCHANIN 7-O-GLUCOSIDE;Biochanin A-.beta.-D-glucoside;CHEMBL3426809;ACon1_000323;LFEUICHQZGNOHD-RECXWPGBSA-N;AKOS030490964;FS-8845;NSC 289565;4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-;7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one;NCGC00169186-01;BIOCHANIN A 7-O-.BETA.-GLUCOSIDE;BIOCHANIN A 7-.BETA.-D-GLUCOPYRANOSIDE;BRD-K07506390-001-01-0;Q23372518;5-Hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside;7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-3-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE;5-hydroxy-3-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Suppliers and Price of Sissotrin

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

Sigma-Aldrich
Sissotrin ~95% (TLC)
5mg
$ 637.00

Sigma-Aldrich
Sissotrin ~95% (TLC)
1mg
$ 362.00

Biosynth Carbosynth
Biochanin A-7-O-glucoside
5 mg
$ 75.00

Arctom
Sissotrin ≥98%
5mg
$ 268.00

American Custom Chemicals Corporation
5-HYDROXY-3-(4-METHOXYPHENYL)-7-[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-CHROMEN-4-ONE 95.00%
5MG
$ 501.82

Total 27 raw suppliers

Chemical Property of Sissotrin Edit

Chemical Property:

Vapor Pressure:6.05E-24mmHg at 25°C
Refractive Index:1.674
Boiling Point:754.9 °C at 760 mmHg
PKA:6.10±0.20(Predicted)
Flash Point:265.4 °C
PSA：159.05000
Density:1.545 g/cm³
LogP:0.35290
XLogP3:1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:446.12129689
Heavy Atom Count:32
Complexity:690

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sissotrin ~95% (TLC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O
Isomeric SMILES:COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Technology Process of Sissotrin

There total 5 articles about Sissotrin 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: 40.3%