CID 11399874

Base Information

• Chemical Name: CID 11399874
• CAS No.: 88497-88-5
• Molecular Formula: C41H48O11
• Molecular Weight: 716.826
• European Community (EC) Number: 805-138-2
• Wikidata: Q105018117
• Mol file: 88497-88-5.mol

Synonyms:CID 11399874;88497-88-5;1-(1,3-benzodioxol-5-yl)-2-[4-[5-[4-[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy]propan-1-ol;SCHEMBL2156708;NS00097570

Chemical Property of CID 11399874

Chemical Property:

• Melting Point: 83-86℃
• Boiling Point: 831.1±65.0 °C(Predicted)
• PKA: 13.35±0.20(Predicted)
• PSA: 123.53000
• Density: 1.219±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 7.53630
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 14
• Exact Mass: 716.31966234
• Heavy Atom Count: 52
• Complexity: 1080

Purity/Quality:

95%-98% ^*data from raw suppliers

Manassantin B phyproof? Reference Substance ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(OC1C2=CC(=C(C=C2)OC(C)C(C3=CC4=C(C=C3)OCO4)O)OC)C5=CC(=C(C=C5)OC(C)C(C6=CC(=C(C=C6)OC)OC)O)OC)C

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