(-)-Juncin E

Base Information

• Chemical Name: (-)-Juncin E
• CAS No.: 129602-22-8
• Molecular Formula: C30H37 Cl O14
• Molecular Weight: 657.0594
• Wikidata: Q110186839
• Mol file: 129602-22-8.mol

Synonyms:(-)-Juncin E;129602-22-8;Juncin E;[(1S,2S,3R,4R,7R,8S,10Z,12S,13S,14R,15R,16R)-2,14,15,16-Tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadec-10-ene-17,2'-oxirane]-12-yl] acetate

Chemical Property of (-)-Juncin E

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 656.1871835
• Heavy Atom Count: 45
• Complexity: 1340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)OC2C1(C(C3C(C(C=CC(=C)C2Cl)OC(=O)C)(C(C(C(C34CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O
• Isomeric SMILES: C[C@H]1C(=O)O[C@@H]2[C@@]1([C@H]([C@@H]3[C@@]([C@H](/C=C\C(=C)[C@@H]2Cl)OC(=O)C)([C@H]([C@H]([C@H](C34CO4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)O