(3aS,7R,10R,11S,11aS)-3a,4,7,8,9,10,11,11a-Octahydro-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-6,10-methanocyclodeca[b]furan-2(3H)-one

Base Information

• Chemical Name: (3aS,7R,10R,11S,11aS)-3a,4,7,8,9,10,11,11a-Octahydro-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-6,10-methanocyclodeca[b]furan-2(3H)-one
• CAS No.: 83217-86-1
• Molecular Formula: C15H20O5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID701101286
• Mol file: 83217-86-1.mol

Synonyms:(3aS,7R,10R,11S,11aS)-3a,4,7,8,9,10,11,11a-Octahydro-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-6,10-methanocyclodeca[b]furan-2(3H)-one;83217-86-1;DTXSID701101286

Chemical Property of (3aS,7R,10R,11S,11aS)-3a,4,7,8,9,10,11,11a-Octahydro-7-hydroperoxy-11-hydroxy-10-methyl-3-methylene-6,10-methanocyclodeca[b]furan-2(3H)-one

Chemical Property:

• PSA: 75.99000
• LogP: 1.82360
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 280.13107373
• Heavy Atom Count: 20
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(C(=CCC3C(C1O)OC(=O)C3=C)C2)OO
• Isomeric SMILES: CC12CCC(/C(=C/CC3C(C1O)OC(=O)C3=C)/C2)OO