(1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Base Information

• Chemical Name: (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
• CAS No.: 137196-25-9
• Molecular Formula: C23H30 O7
• Molecular Weight: 418.48
• Nikkaji Number: J2.399.600F,J3.084.131J
• Wikidata: Q27138014
• Metabolomics Workbench ID: 125541
• ChEMBL ID: CHEMBL1928007
• Mol file: 137196-25-9.mol

Synonyms:polysyphorin

Chemical Property of (1R,2R)-2-[2,6-dimethoxy-4-[(E)-prop-1-enyl]phenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol

Chemical Property:

• Vapor Pressure: 7.31E-14mmHg at 25°C
• Boiling Point: 570.7°Cat760mmHg
• Flash Point: 298.9°C
• PSA: 75.61000
• Density: 1.14g/cm³
• LogP: 4.26360
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 418.19915329
• Heavy Atom Count: 30
• Complexity: 486

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC1=CC(=C(C(=C1)OC)OC(C)C(C2=CC(=C(C(=C2)OC)OC)OC)O)OC
• Isomeric SMILES: C/C=C/C1=CC(=C(C(=C1)OC)O[C@H](C)[C@@H](C2=CC(=C(C(=C2)OC)OC)OC)O)OC