3'-Hydroxyrocaglamide

Base Information

• Chemical Name: 3'-Hydroxyrocaglamide
• CAS No.: 189322-67-6
• Molecular Formula: C29H31NO8
• Molecular Weight: 521.55800
• DSSTox Substance ID: DTXSID301019942
• Nikkaji Number: J821.729G
• Wikidata: Q105290398
• Mol file: 189322-67-6.mol

Synonyms:3'-Hydroxyrocaglamide;Rocaglamide D;189322-67-6;C29H31NO8;C-3'-Hydroxyrocaglamide;Roc D;Rocaglamide C;(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide;3/'-Hydroxyrocaglamide;DTXSID301019942;HY-N1841;AKOS032962193;FS-10523;CS-0017696;J-012214;(1R)-2,3,3a,8b-Tetrahydro-1alpha,8bbeta-dihydroxy-6,8-dimethoxy-3abeta-(3-hydroxy-4-methoxyphenyl)-N,N-dimethyl-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxamide

Chemical Property of 3'-Hydroxyrocaglamide

Chemical Property:

• Boiling Point: 704.8±60.0 °C(Predicted)
• PKA: 9.85±0.10(Predicted)
• PSA: 117.92000
• Density: 1.368±0.06 g/cm3(Predicted)
• LogP: 2.75620
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 521.20496695
• Heavy Atom Count: 38
• Complexity: 850

Purity/Quality:

99.0% ^*data from raw suppliers

RocaglamideC ^*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)O)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)O)C5=CC=CC=C5
• Uses: Rocaglamide C is a derivative of Rocaglamide.