Proscillaridin

Base Information

• Chemical Name: Proscillaridin
• CAS No.: 466-06-8
• Deprecated CAS: 12041-88-2,14008-49-2
• Molecular Formula: C₃₀H₄₂O₈
• Molecular Weight: 530.659
• European Community (EC) Number: 207-370-4
• UNII: KC6BL281EN
• DSSTox Substance ID: DTXSID5023532
• Nikkaji Number: J2.051F
• Wikipedia: Proscillaridin
• Wikidata: Q7250550
• NCI Thesaurus Code: C84121
• Metabolomics Workbench ID: 144295
• ChEMBL ID: CHEMBL600325
• Mol file: 466-06-8.mol

Synonyms:Caradrin;Desglucotransvaaline;Digitalysat;Proscillaridin;Proscillaridin A;Proscillaridine;Rhamnoside, Scillarenin;Sandoscill;Scillarenin Rhamnoside;Scillase;Talusin

Chemical Property of Proscillaridin

Chemical Property:

• Vapor Pressure: 1E-23mmHg at 25°C
• Melting Point: 233°C
• Refractive Index: 1.4900 (estimate)
• Boiling Point: 716.7°Cat760mmHg
• PKA: 13.01±0.70(Predicted)
• Flash Point: 232.6°C
• PSA: 129.59000
• Density: 1.33g/cm³
• LogP: 3.01380
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 530.28796829
• Heavy Atom Count: 38
• Complexity: 1070

Purity/Quality:

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

Proscillaridin A ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 28-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
• Uses: cardiotonic antipsychotic