CID 13943202

Base Information

• Chemical Name: CID 13943202
• CAS No.: 41787-75-1
• Molecular Formula: C19H23ClO7
• Molecular Weight: 398.87
• ChEMBL ID: CHEMBL520522
• DSSTox Substance ID: DTXSID801099569
• Nikkaji Number: J12.816C
• Wikidata: Q105235566
• Mol file: 41787-75-1.mol

Synonyms:41787-75-1;CHEMBL520522;DTXSID801099569;(2'R,3aR,4S,6aR,8S,9aS,9bS)-Decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro[azuleno[4,5-b]furan-9(2H),2'-oxiran]-4-yl (2S)-3-chloro-2-hydroxy-2-methylpropanoate;[(3aR,4S,6aR,8S,9R,9aS,9bS)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate

Chemical Property of CID 13943202

Chemical Property:

• PSA: 105.59000
• LogP: 0.71170
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 398.1132308
• Heavy Atom Count: 27
• Complexity: 736

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)(C(=O)OC1CC(=C)C2CC(C3(C2C4C1C(=C)C(=O)O4)CO3)O)O
• Isomeric SMILES: C[C@@](CCl)(C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H]([C@@]3([C@@H]2[C@@H]4[C@@H]1C(=C)C(=O)O4)CO3)O)O