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Styrylpyrones

Goniodiol diacetate

PHY-NP-14881 · Natural product research catalog

Catalog numberPHY-NP-14881
CAS number136778-40-0
Molecular formulaC17H18O6
Molecular weight318.325 g/mol
Chemical classStyrylpyrones
Main reported sourceGoniothalamus amuyon
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Goniodiol diacetate

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Product information

Goniodiol diacetate is listed in the Styrylpyrones section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name[(1S,2R)-2-acetyloxy-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-2-phenylethyl] acetate
SMILESCC(=O)O[C@@H]([C@H]1CC=CC(=O)O1)[C@@H](C2=CC=CC=C2)OC(=O)C
InChIKeyJJGQHRYXJBODPH-OIISXLGYSA-N
Subclass / scaffoldKavalactones and derivatives
PubChem CID11012583

Computed properties

Exact mass (Da)318.1103Predicted LogP2.0942
Predicted TPSA (Ų)78.9H-bond donors0
H-bond acceptors6Rotatable bonds5

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings1
Fraction Csp³0.353
Synthetic accessibility score3.69
QED score0.611
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStyrylpyrones
NPClassifier classKavalactones and derivatives
Parent SMILESCC(=O)O[C@H]([C@H](OC(C)=O)c1ccccc1)[C@H]1CC=CC(=O)O1
Parent formulaC17H18O6
Parent molecular weight318.325
Specified stereocenters3
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceGoniothalamus amuyon
Reported source familiesAnnonaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesGoniothalamus amuyon[1]; Goniothalamus sesquipedalis[1]
All reported source familiesAnnonaceae[2]
LOTUS species records2
LOTUS reference records2
COCONUT occurrence recordsGoniothalamus amuyon; Goniothalamus sesquipedalis
COCONUT organism records2
COCONUT identifierCNP0286106.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.