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Chemical structure of Pinobanksin 3-acetate

GC63147

Pinobanksin 3-acetate

Also known as [(2R,3R)-5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl] acetate

Pinobanksin 3-acetate is a one of Pinobanksin ester derivatives that can be isolated from Sonoran propolis

ChemicalCAS52117-69-8MW314.29FormulaC17H14O6
CAS number
52117-69-8
Molecular weight
314.29
Formula
C17H14O6
Solubility
DMSO ： 100 mg/mL (318·18 mM; Need ultrasonic)
InChIKey
BJYHZSNSMVEQEH-SJORKVTESA-N
Catalogue number
GC63147
Brand
GLPBIO
Computed properties PubChem CID 148556 · XLogP 2.8 · TPSA 93.1 Ų · H-bond donors 2
XLogP
2.8
TPSA
93.1 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES CC(=O)O[C@@H]1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3

Computed descriptors from PubChem (CID 148556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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