Acetyldigitoxin

Base Information

Chemical Name:Acetyldigitoxin
CAS No.:1111-39-3
Molecular Formula:C43H66 O14
Molecular Weight:806.989
Hs Code.:
European Community (EC) Number:214-178-4
UNII:0ZV4Q4L2FU
Nikkaji Number:J217.225I
Wikipedia:Acetyldigitoxin
Wikidata:Q4673299
NCI Thesaurus Code:C65212
Pharos Ligand ID:QU5FW1LGKBLA
Metabolomics Workbench ID:42853
ChEMBL ID:CHEMBL3545057
Mol file:1111-39-3.mol

Synonyms:Acedoxin;Acetyldigitoxin;Acetyldigitoxins;Adicin;alpha Acetyldigitoxin;alpha-Acetyldigitoxin;Desglucolanatosides A;Digitoxin Monoacetate;Monoacetate, Digitoxin

Suppliers and Price of Acetyldigitoxin

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

TRC
Digitoxin3''''''-Acetate
1mg
$ 215.00

Cayman Chemical
Acetyldigitoxin ≥95%
1mg
$ 232.00

Cayman Chemical
Acetyldigitoxin ≥95%
500μg
$ 129.00

Cayman Chemical
Acetyldigitoxin ≥95%
5mg
$ 968.00

American Custom Chemicals Corporation
ACETYLDIGITOXIN 95.00%
5MG
$ 496.31

AK Scientific
Acetyldigitoxin
5mg
$ 1406.00

Total 15 raw suppliers

Chemical Property of Acetyldigitoxin

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:217-221°
Refractive Index:1.6130 (estimate)
Boiling Point:902.2ºC at 760 mmHg
Flash Point:265ºC
PSA：188.90000
Density:1.31g/cm3
LogP:3.81810
XLogP3:2.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:9
Exact Mass:806.44525677
Heavy Atom Count:57
Complexity:1520

Purity/Quality:

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

Digitoxin3''''''-Acetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O
Isomeric SMILES:C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O
Therapeutic Function Cardiotonic

Technology Process of Acetyldigitoxin

There total 6 articles about Acetyldigitoxin 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%