[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,19S,21R)-6-(furan-3-yl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

Base Information

• Chemical Name: [(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,19S,21R)-6-(furan-3-yl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate
• CAS No.: 71590-47-1
• Molecular Formula: C28H36 O10
• Molecular Weight: 532.588
• Mol file: 71590-47-1.mol

Synonyms:12-hydroxyamoorastatin

Chemical Property of [(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,19S,21R)-6-(furan-3-yl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

Chemical Property:

• Boiling Point: 721.936oC at 760 mmHg
• Flash Point: 390.413oC
• PSA: 159.19000
• Density: 1.483g/cm3
• LogP: 0.89530
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 532.23084734
• Heavy Atom Count: 38
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C)O)O
• Isomeric SMILES: CC(=O)O[C@@H]1C[C@@H]([C@@]23COC(C1([C@@H]2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5([C@]46[C@H](O6)C[C@H]5C7=COC=C7)C)O)C)O)C)O)O