3-epi-Digoxigenin

Base Information

Chemical Name:3-epi-Digoxigenin
CAS No.:465-14-5
Molecular Formula:C₂₃H₃₄O₅
Molecular Weight:390.52
Hs Code.:
European Community (EC) Number:207-358-9
ChEMBL ID:CHEMBL4294913
DSSTox Substance ID:DTXSID101234215
Metabolomics Workbench ID:62817
Nikkaji Number:J196.184E
Wikidata:Q27132658
Mol file:465-14-5.mol

Synonyms:3-epi-Digoxigenin;465-14-5;3-epidigoxigenin;(3alpha,5beta,12beta)-3,12,14-Trihydroxycard-20(22)-enolide;3alpha,12beta,14-trihydroxy-5beta-card-20(22)-enolide;3-[(3R,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;3alpha,12beta,14-trihydroxy-5beta,14beta-card-20(22)-enolide;CHEMBL4294913;CHEBI:63497;DTXSID101234215;NS00080512;Q27132658

Suppliers and Price of 3-epi-Digoxigenin

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

Total 6 raw suppliers

Chemical Property of 3-epi-Digoxigenin

Chemical Property:

Melting Point:249-262 °C
Boiling Point:589.4°Cat760mmHg
PKA:14.44±0.70(Predicted)
Flash Point:203°C
PSA：86.99000
Density:1.297g/cm³
LogP:2.57510
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:390.24062418
Heavy Atom Count:28
Complexity:718

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2CC(C4(C3(CCC4C5=CC(=O)OC5)O)C)O)O
Isomeric SMILES:C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O

Technology Process of 3-epi-Digoxigenin

There total 8 articles about 3-epi-Digoxigenin 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: