Cebellin D

Base Information

• Chemical Name: Cebellin D
• CAS No.: 106759-33-5
• Molecular Formula: C20H25ClO7
• Molecular Weight: 412.9
• Nikkaji Number: J708.775F,J328.173F
• Wikidata: Q104252606
• Mol file: 106759-33-5.mol

Synonyms:Cebellin D;106759-33-5;(E)-2-Methyl-4-hydroxy-2-butenoic acid [(3aR,6abeta,9abeta,9balpha)-dodecahydro-2-oxo-3,6-bis(methylene)-8alpha,9beta-dihydroxy-9-(chloromethyl)azuleno[4,5-b]furan]-4beta-yl ester

Chemical Property of Cebellin D

Chemical Property:

• Vapor Pressure: 3.18E-18mmHg at 25°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 412.1288808
• Heavy Atom Count: 28
• Complexity: 745

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=CCO)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O
• Isomeric SMILES: C/C(=C\CO)/C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]([C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)(CCl)O)O