Rocaglamide J structure

Rocaglamide J

methyl 1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate

CAS: 147059-47-0
Molecular Formula C28H28O8
Molecular Weight 492.5 g/mol
LogP 3.2
Topological Polar Surface Area 104.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 7
Exact Mass 492.1784
Heavy Atoms 36
Complexity 778.0

Chemical Identifiers

CAS Number 147059-47-0
SMILES COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)OC)C5=CC=CC=C5
InChIKey VFTGDXPPYSWBSO-UHFFFAOYSA-N

📖 Product Overview

Rocaglamide J (CAS: 147059-47-0) is a chemical compound with molecular formula C28H28O8 and molecular weight 492.5 g/mol. Its IUPAC systematic name is methyl 1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate. LogP 3.2 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 492.1784 Heavy Atoms 36 Complexity 778.0 InChI Key: VFTGDXPPYSWBSO-UHFFFAOYSA-N. SMILES: COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)OC)C5=CC=CC=C5.

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