16alpha,17beta-Estriol 17-(beta-D-glucuronide)

Base Information

Chemical Name:16alpha,17beta-Estriol 17-(beta-D-glucuronide)
CAS No.:7219-89-8
Molecular Formula:C24H32 O9
Molecular Weight:464.513
Hs Code.:
European Community (EC) Number:635-343-0
ChEMBL ID:CHEMBL1417173
DSSTox Substance ID:DTXSID50992906
Metabolomics Workbench ID:36931
Nikkaji Number:J745.319A
Wikidata:Q27105356
Mol file:7219-89-8.mol

Synonyms:estriol 17-glucuronide

Suppliers and Price of 16alpha,17beta-Estriol 17-(beta-D-glucuronide)

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

American Custom Chemicals Corporation
ESTRIOL 17BETA-(BETA-D-GLUCURONIDE) 95.00%
5MG
$ 502.62

Total 7 raw suppliers

Chemical Property of 16alpha,17beta-Estriol 17-(beta-D-glucuronide)

Chemical Property:

Vapor Pressure:6.95E-23mmHg at 25°C
Boiling Point:738.3°C at 760 mmHg
Flash Point:253.5°C
PSA：156.91000
LogP:0.49650
Storage Temp.:−20°C
XLogP3:1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:464.20463259
Heavy Atom Count:33
Complexity:747

Purity/Quality:

99% ^*data from raw suppliers

ESTRIOL 17BETA-(BETA-D-GLUCURONIDE) 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-40
Safety Statements: 22-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CC(C2OC4C(C(C(C(O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)CCC5=C3C=CC(=C5)O

Technology Process of 16alpha,17beta-Estriol 17-(beta-D-glucuronide)

There total 13 articles about 16alpha,17beta-Estriol 17-(beta-D-glucuronide) 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: 65.0%

: 18842-02-9
methyl 1-O-<3,16α-dihydroxy-estra-1,3,5(10)-trien-17β-yl>-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

: 7219-89-8
3,16α-dihydroxy-1,3,5(10)-estratrien-17β-yl-β-D-glucopyranosiduronic acid

Guidance literature:: With sodium hydroxide; In methanol; for 24h; Ambient temperature;
DOI:10.1016/0039-128X(93)90001-4

Reference yield: 65.0%

: 39130-74-0
methyl 3-acetoxy-16α-hydroxy-1,3,5(10)-estratrien-17β-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosiduronate

: 7219-89-8
3,16α-dihydroxy-1,3,5(10)-estratrien-17β-yl-β-D-glucopyranosiduronic acid

Guidance literature:: With sodium hydroxide; In methanol; for 24h; Ambient temperature;
DOI:10.1016/0039-128X(93)90001-4

Reference yield:

: 63700-19-6
Uridine diphospho-D-glucuronic acid triammonium salt

: 50-27-1,300853-07-0
Estriol

: 2479-91-6
Estriol O₃-glucuronide

: 7219-89-8
3,16α-dihydroxy-1,3,5(10)-estratrien-17β-yl-β-D-glucopyranosiduronic acid

: 1852-50-2
estriol-16α-D-glucoronide

Guidance literature:: With magnesium chloride; In aq. phosphate buffer; dimethyl sulfoxide; at 37 ℃; pH=7.4; regioselective reaction; Enzymatic reaction;
DOI:10.1124/dmd.112.049072