Cymarin

Base Information

• Chemical Name: Cymarin
• CAS No.: 508-77-0
• Deprecated CAS: 1367-21-1,80683-29-0,27214-79-5,88195-73-7
• Molecular Formula: C30H44 O9
• Molecular Weight: 548.674
• European Community (EC) Number: 208-087-9
• UNII: UK3LS8435E
• DSSTox Substance ID: DTXSID20871714
• Nikkaji Number: J6.241C
• Wikipedia: Cymarin
• Wikidata: Q5199357
• Metabolomics Workbench ID: 68969
• ChEMBL ID: CHEMBL1075788
• Mol file: 508-77-0.mol

Synonyms:Cymarin;Cymarine;h Strophanthin;h-Strophanthin;k Strophanthin alpha;k-Strophanthin-alpha;Strophantisel;Tsimarin;Zimarin

Chemical Property of Cymarin

Chemical Property:

• Vapor Pressure: 4.46E-24mmHg at 25°C
• Melting Point: 148ºC
• Refractive Index: 1.589
• Boiling Point: 722.1ºCat 760 mmHg
• PKA: 13.55±0.70(Predicted)
• Flash Point: 232.7 ºC
• PSA: 131.75000
• Density: 1.31 g/cm3
• LogP: 2.43330
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 548.29853298
• Heavy Atom Count: 39
• Complexity: 1030

Purity/Quality:

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

Cymarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,T+
• Statements: 23/25-33-26/27/28-41
• Safety Statements: 45-36/37/39-36/37-28-26

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
• Uses: Cymarin is a pure allelochemicals that is a potent growth inhibitor in plants. Cymarin was used to study the effect of cardiac glycosides on vascular smooth muscles and ion transport.
• Therapeutic Function: Cardiotonic

Technology Process of Cymarin

There total 4 articles about Cymarin 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:

→ cymarin (508-77-0)

Guidance literature:

mit Hilfe eines Enzym-Praeparats aus einer Strophanthus-Art;

Reference yield:

→ cymarin (508-77-0)

Guidance literature:

mit Hilfe von Fusarium lini;

DOI:10.1002/hlca.19590420123

Reference yield:

→ cymarin (508-77-0)

Guidance literature:

mit Hilfe eines Enzym-Praeparats aus einer Strophanthus-Art;

DOI:10.1002/hlca.193702001200

Downstream raw materials:

strophanthidin