Digitoxigenin-3-beta-D-alanyl ester

Base Information

Chemical Name:Digitoxigenin-3-beta-D-alanyl ester
CAS No.:81130-95-2
Molecular Formula:C₂₆H₃₉NO₅
Molecular Weight:445.599
Hs Code.:
DSSTox Substance ID:DTXSID601001803

Synonyms:Digitoxigenin-3-beta-D-alanyl ester;3-beta,14-Dihydroxy-5-beta-card-20(22)-enolide 3-ester with D-alanine;5-beta-Card-20(22)-enolide, 3-beta,14-dihydroxy-, 3-(2-aminopropionate) (ester), D-;81130-95-2;DTXSID601001803;LS-52426;14-(Alanyloxy)-3-hydroxycard-20(22)-enolide

Suppliers and Price of Digitoxigenin-3-beta-D-alanyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Digitoxigenin-3-beta-D-alanyl ester

Chemical Property:

Vapor Pressure:3.85E-16mmHg at 25°C
Boiling Point:585.4°C at 760 mmHg
Flash Point:307.8°C
Density:1.21g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:445.28282334
Heavy Atom Count:32
Complexity:840

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)OC12CCC(C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C5=CC(=O)OC5)N
Isomeric SMILES:C[C@H](C(=O)OC12CC[C@@H]([C@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)O)C)C)C5=CC(=O)OC5)N

Technology Process of Digitoxigenin-3-beta-D-alanyl ester

There total 2 articles about Digitoxigenin-3-beta-D-alanyl ester 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: