(11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one

Base Information

• Chemical Name: (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
• CAS No.: 75006-00-7
• Molecular Formula: C27H46O9
• Molecular Weight: 514.6487
• NSC Number: 375096
• DSSTox Substance ID: DTXSID90419622
• Mol file: 75006-00-7.mol

Synonyms:NSC375096;75006-00-7;DTXSID90419622;NSC-375096;PLATENOLIDE II, 5-O-(ALPHA-MACROSYL):(MYC-PL-II)

Chemical Property of (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7-ethyl-4,10-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one

Chemical Property:

• Vapor Pressure: 8.98E-22mmHg at 25°C
• Boiling Point: 685.8°Cat760mmHg
• Flash Point: 219°C
• Density: 1.17g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 514.31418304
• Heavy Atom Count: 36
• Complexity: 741

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC(C(C=CC=CCC(OC(=O)CC(C(C1OC2CC(C(C(O2)C)O)(C)O)OC)O)C)O)C
• Isomeric SMILES: CCC1CC(C(/C=C/C=C/CC(OC(=O)CC(C(C1OC2CC(C(C(O2)C)O)(C)O)OC)O)C)O)C