Isochamaejasmin

Base Information

Chemical Name:Isochamaejasmin
CAS No.:93859-63-3
Molecular Formula:C₃₀H₂₂O₁₀
Molecular Weight:542.499
Hs Code.:
NSC Number:687700
DSSTox Substance ID:DTXSID101317073
Nikkaji Number:J623.011C
Wikidata:Q27106969
Metabolomics Workbench ID:22129
ChEMBL ID:CHEMBL3318021
Mol file:93859-63-3.mol

Synonyms:isochamaejasmin

Suppliers and Price of Isochamaejasmin

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

CSNpharm
Isochamaejasmine
1mg
$ 370.00

CSNpharm
Isochamaejasmine
5mg
$ 925.00

Crysdot
Isochamaejasmin 95+%
5mg
$ 810.00

Arctom
Isochamaejasmine ≥98%
5mg
$ 418.00

Arctom
Isochamaejasmine
5mg
$ 371.00

Total 10 raw suppliers

Chemical Property of Isochamaejasmin

Chemical Property:

Boiling Point:932.6°Cat760mmHg
PKA:7.14±0.60(Predicted)
Flash Point:314.2°C
PSA：173.98000
Density:1.594g/cm³
LogP:4.48560
XLogP3:4.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:542.12129689
Heavy Atom Count:40
Complexity:854

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Isochamaejasmine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
Isomeric SMILES:C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)[C@H]4[C@@H](OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O

Technology Process of Isochamaejasmin

There total 9 articles about Isochamaejasmin 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: 70.0%

: (trans,trans,trans)-2,2',3,3'-tetrahydro-5,5',7,7'-tetramethoxy-2,2'-bis(4-methoxyphenyl)-[3,3'-bi-4H-1-benzopyran]-4,4'-dione

: 69618-96-8,90411-12-4,90411-13-5,93859-63-3,105181-73-5,105227-18-7
(trans,trans,trans)-2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,3'-bi-4H-1-benzopyran]-4,4'-dione

Guidance literature:: With boron tribromide; In dichloromethane; at -78 - 20 ℃;
DOI:10.1021/ol047718u

Reference yield:

: 129502-54-1
ormocarpin

: 69618-96-8,90411-12-4,90411-13-5,93859-63-3,105181-73-5,105227-18-7
(+)-chamae jasmine

Guidance literature:: β-glucosidase; In water; at 35 ℃; for 144h; acetate buffer pH 5.5;
DOI:10.1016/0031-9422(90)83077-E

Reference yield:

: 3-iodonaringenin trimethyl ester

: 69618-96-8,90411-12-4,90411-13-5,93859-63-3,105181-73-5,105227-18-7
(trans,trans,trans)-2,2',3,3'-tetrahydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-[3,3'-bi-4H-1-benzopyran]-4,4'-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 10 percent / La / tetrahydrofuran / 2 h / Heating

2: 70 percent / BBr₃ / CH₂Cl₂ / -78 - 20 °C

With lanthanum; boron tribromide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/ol047718u