Epicalyxin B

Base Information

• Chemical Name: Epicalyxin B
• CAS No.: 164991-54-2
• Molecular Formula: C35H34 O8
• DSSTox Substance ID: DTXSID501101535
• Nikkaji Number: J860.095C
• Wikidata: Q104981009

Synonyms:Epicalyxin B;DTXSID501101535;(2E)-1-[2,4-Dihydroxy-3-[(1R,2E,5S)-5-hydroxy-1,7-bis(4-hydroxyphenyl)-2-hepten-1-yl]-6-methoxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one;164991-54-2

Chemical Property of Epicalyxin B

Chemical Property:

• XLogP3: 6.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 582.22536804
• Heavy Atom Count: 43
• Complexity: 882

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• Canonical SMILES: COC1=C(C(=C(C(=C1)O)C(C=CCC(CCC2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O)O)C(=O)C=CC4=CC=C(C=C4)O
• Isomeric SMILES: COC1=C(C(=C(C(=C1)O)[C@H](/C=C/C[C@H](CCC2=CC=C(C=C2)O)O)C3=CC=C(C=C3)O)O)C(=O)/C=C/C4=CC=C(C=C4)O

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