Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate

Base Information

• Chemical Name: Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate
• CAS No.: 28057-72-9
• Molecular Formula: C31H40 O8
• Molecular Weight: 540.64
• DSSTox Substance ID: DTXSID60950739
• Mol file: 28057-72-9.mol

Synonyms:methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate;MIOE

Chemical Property of Methyl 3-isobutyryloxy-1-oxomeliac-8(30)-enate

Chemical Property:

• Vapor Pressure: 3.52E-16mmHg at 25°C
• Boiling Point: 638.1°Cat760mmHg
• Flash Point: 339.7°C
• PSA: 109.11000
• Density: 1.22g/cm³
• LogP: 5.21860
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 540.27231823
• Heavy Atom Count: 39
• Complexity: 1090

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OC1C2C=C3C(CCC4(C3CC(=O)OC4C5=COC=C5)C)C(C2=O)(C(C1(C)C)CC(=O)OC)C
• Isomeric SMILES: CC(C)C(=O)O[C@@H]1[C@H]2C=C3[C@H](CC[C@@]4([C@H]3CC(=O)O[C@H]4C5=COC=C5)C)[C@](C2=O)([C@H](C1(C)C)CC(=O)OC)C

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