trans-miyabenol C

Base Information

• Chemical Name: trans-miyabenol C
• CAS No.: 109605-83-6
• Molecular Formula: C₄₂H₃₂O₉
• Molecular Weight: 680.711
• UNII: 78H44UGJ85
• Nikkaji Number: J2.948.888F
• Wikipedia: Miyabenol_C
• Wikidata: Q27145799
• Mol file: 109605-83-6.mol

Synonyms:miyabenol C

Chemical Property of trans-miyabenol C

Chemical Property:

• PSA: 160.07000
• LogP: 8.32740
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 680.20463259
• Heavy Atom Count: 51
• Complexity: 1150

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6C(C(OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=C3[C@@H]([C@H](OC3=CC(=C2)O)C4=CC=C(C=C4)O)C5=C6[C@H]([C@@H](OC6=CC(=C5)O)C7=CC=C(C=C7)O)C8=CC(=CC(=C8)O)O)O