[(1S,2R,4S,10R,11R,16R)-6-(Furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate

Base Information

• Chemical Name: [(1S,2R,4S,10R,11R,16R)-6-(Furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate
• CAS No.: 18385-59-6
• Molecular Formula: C₂₈H₃₄O₆
• Molecular Weight: 466.574
• DSSTox Substance ID: DTXSID80939763
• Wikidata: Q105178276
• Mol file: 18385-59-6.mol

Synonyms:epoxyazadiradione

Chemical Property of [(1S,2R,4S,10R,11R,16R)-6-(Furan-3-yl)-1,7,11,15,15-pentamethyl-5,14-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-18-yl] acetate

Chemical Property:

• Vapor Pressure: 5.76E-13mmHg at 25°C
• Boiling Point: 569.1°Cat760mmHg
• Flash Point: 298°C
• PSA: 86.11000
• Density: 1.25g/cm³
• LogP: 4.62910
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 466.23553880
• Heavy Atom Count: 34
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Epoxyazadiradione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)(C)C
• Isomeric SMILES: CC(=O)OC1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C
• Uses: Epoxyazadiradione is an extract from Neem (Azadirachta indica) plant and may induce mitochondrial apoptosis and inhibition of NFkB in human cervical cancer cells.