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Chemical structure of Amorfrutin A

GC40636

Amorfrutin A

Also known as 2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-phenylethyl)benzoic acid

Amorfrutin A is an isoprenoid-substituted benzoic acid natural product found in the fruit of A

ChemicalCAS80489-90-3MW340.4FormulaC21H24O4
CAS number
80489-90-3
Molecular weight
340.4
Formula
C21H24O4
Solubility
DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
CTNFTPUIYFUXBE-UHFFFAOYSA-N
Catalogue number
GC40636
Brand
GLPBIO
Computed properties PubChem CID 17950432 · XLogP 5.8 · TPSA 66.8 Ų · H-bond donors 2
XLogP
5.8
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25

SMILES CC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC)C

Computed descriptors from PubChem (CID 17950432), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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