Edultin

Base Information

• Chemical Name: Edultin
• CAS No.: 15591-75-0
• Molecular Formula: C21H22 O7
• Molecular Weight: 386.4
• Nikkaji Number: J609.042G
• Wikidata: Q104994335
• Metabolomics Workbench ID: 123280
• ChEMBL ID: CHEMBL1302068
• Mol file: 15591-75-0.mol

Synonyms:Edultin;15591-75-0;[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate;Cnidimine;MLS000574916;CHEMBL1302068;CHEBI:175917;HMS2224K16;SMR000156218;Q-100934;[(8S,9R)-8-(2-acetyloxypropan-2-yl)-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate

Chemical Property of Edultin

Chemical Property:

• PSA: 92.04000
• LogP: 3.44620
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 386.13655304
• Heavy Atom Count: 28
• Complexity: 720

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H](OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C