Strophanthidylic acid

Base Information

• Chemical Name: Strophanthidylic acid
• CAS No.: 508-64-5
• Molecular Formula: C23H32O7
• Molecular Weight: 420.499
• DSSTox Substance ID: DTXSID70965031
• Nikkaji Number: J39.813F
• Wikidata: Q76010202
• Metabolomics Workbench ID: 199498
• Mol file: 508-64-5.mol

Synonyms:Strophanthidylic acid;Strophanthidinoic acid;508-64-5;Strophanthidinic acid;Strophanthidin-19-carboxylic acid;(3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid;C23H32O7;24-Nor-5-beta,14-beta-chol-20(22)-ene-19,23-dioic acid, 3-beta,5,14,21-tetrahydroxy-, gamma-lactone;3,5,14,19-tetrahydroxy-19-oxocard-20(22)-enolide;DTXSID70965031;AKOS030489404;LS-97266

Chemical Property of Strophanthidylic acid

Chemical Property:

• Vapor Pressure: 7.14E-21mmHg at 25°C
• Boiling Point: 670.9°C at 760 mmHg
• Flash Point: 232.9°C
• PSA: 124.29000
• Density: 1.459g/cm³
• LogP: 1.78390
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 420.21480336
• Heavy Atom Count: 30
• Complexity: 822

Purity/Quality:

98%min ^*data from raw suppliers

STROPHANTHIDYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C(=O)O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C(=O)O)O

Technology Process of Strophanthidylic acid

There total 4 articles about Strophanthidylic acid 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:

strophanthidin (66-28-4) → strophanthidin-19-carboxylic acid (508-64-5)

Guidance literature:

With potassium permanganate; acetone;

Reference yield:

strophantidinic acid 5β-O-lactone (1262151-43-8) → strophanthidin-19-carboxylic acid (508-64-5)

Guidance literature:

strophantidinic acid 5β-O-lactone; With ammonia; water; In methanol; for 3h;

With acetic acid; In methanol;

DOI:10.1007/s10600-010-9730-2

Reference yield:

acetone (67-64-1) + strophanthidin (66-28-4) → 14-hydroxy-3-O-methoxy-19-nor-14β-card-1,3,5(10),20(22)-tetraenolide (105092-23-7) + strophanthidin-19-percarboxylic acid + 3β,14β-dihydroxy-5,10-diketo-19-nor-5,10-secocard-20(22)-enolide (98086-73-8) + strophanthidin-19-carboxylic acid (508-64-5)

Guidance literature:

With air; for 720h; Product distribution; autooxidation;

DOI:10.1007/BF00574252

upstream raw materials:

strophanthidin

acetone

strophantidinic acid 5β-O-lactone

Downstream raw materials:

3β-benzoyloxy-5,14,21-trihydroxy-24-nor-5β,14β-chol-20(22)t-ene-19,23-dioic acid-23=>21-lactone-19-methyl ester

Refernces

• 1、 Makarevich, I. F.,Dikan', L. N.. "19-NORCARDENOLIDES". . p. 67 - 71. Retrieved 2007/10/02.