Methyl pseudolarate B

Base Information

• Chemical Name: Methyl pseudolarate B
• CAS No.: 82508-34-7
• Molecular Formula: C24H30O8
• Molecular Weight: 446.49000
• DSSTox Substance ID: DTXSID801314937
• Metabolomics Workbench ID: 141202
• ChEMBL ID: CHEMBL513582
• Mol file: 82508-34-7.mol

Synonyms:Methyl pseudolarate B;82508-34-7;Methylpseudolarate B;CHEMBL513582;DTXSID801314937;HY-N3267;AKOS040762054;CS-0023749;methyl (1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate;Methyl (2E,4E)-5-[(7S,1R,8R)-7-acetyloxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate;methyl acetoxy-[(1E,3E)-5-methoxy-4-methyl-5-oxo-penta-1,3-dienyl]-methyl-oxo-[?]carboxylate

Chemical Property of Methyl pseudolarate B

Chemical Property:

• PSA: 105.20000
• LogP: 2.95900
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 446.19406791
• Heavy Atom Count: 32
• Complexity: 928

Purity/Quality:

98%min ^*data from raw suppliers

MethylpseudolarateB ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)OC
• Isomeric SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)OC