[(6S,8R,17S,18S,20R,22S)-8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate

Base Information

• Chemical Name: [(6S,8R,17S,18S,20R,22S)-8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate
• CAS No.: 31218-22-1
• Molecular Formula: C41H52 O17
• Molecular Weight: 816.8414
• Mol file: 31218-22-1.mol

Synonyms:C41H52O17;C41-H52-O17;31218-22-1

Chemical Property of [(6S,8R,17S,18S,20R,22S)-8-acetyloxy-17-(furan-3-yl)-3,7-dihydroxy-22-(2-methoxy-2-oxoethyl)-2,5,11,18-tetramethyl-20-(2-methylbutanoyloxy)-15-oxo-10,12,16,21-tetraoxaheptacyclo[9.9.1.12,5.01,9.03,7.09,13.013,18]docosan-6-yl] 2,3-dimethyloxirane-2-carboxylate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 225.32000
• Density: 1.45g/cm³
• LogP: 2.70850
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 13
• Exact Mass: 816.32045019
• Heavy Atom Count: 58
• Complexity: 1890

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)OC1CC2(C(OC(=O)CC23C45C1(C6(C(C7(CC6(C(C7OC(=O)C8(C(O8)C)C)(C4OC(=O)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C
• Isomeric SMILES: CCC(C)C(=O)O[C@@H]1C[C@]2([C@@H](OC(=O)CC23C45C1(C6([C@H](C7(CC6(C([C@H]7OC(=O)C8(C(O8)C)C)([C@H]4OC(=O)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C