3'-Methoxyrocaglamide

Base Information

• Chemical Name: 3'-Methoxyrocaglamide
• CAS No.: 189322-69-8
• Molecular Formula: C30H33NO8
• Molecular Weight: 535.58500
• DSSTox Substance ID: DTXSID001019943
• Nikkaji Number: J821.731I
• Wikidata: Q104667413
• Mol file: 189322-69-8.mol

Synonyms:3'-Methoxyrocaglamide;3/'-Methoxyrocaglamide;189322-69-8;(1R,2R,3S,3aR,8bS)-3a-(3,4-dimethoxyphenyl)-1,8b-dihydroxy-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide;Aglaroxin E;glaroxine E;C-3'-Methoxyrocaglamide;DTXSID001019943;AKOS032962186;FS-10524;(1R)-2,3,3a,8b-Tetrahydro-1alpha,8bbeta-dihydroxy-6,8-dimethoxy-3abeta-(3,4-dimethoxyphenyl)-N,N-dimethyl-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxamide

Chemical Property of 3'-Methoxyrocaglamide

Chemical Property:

• PSA: 106.92000
• LogP: 3.05920
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 535.22061701
• Heavy Atom Count: 39
• Complexity: 866

Purity/Quality:

98%min ^*data from raw suppliers

3'-Methoxyrocaglamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5
• Isomeric SMILES: CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5