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Styrylpyrones

Isoaltholactone

PHY-NP-14886 · Natural product research catalog

Catalog numberPHY-NP-14886
CAS number124868-11-7
Molecular formulaC13H12O4
Molecular weight232.235 g/mol
Chemical classStyrylpyrones
Main reported sourceGoniothalamus aruensis
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Isoaltholactone

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Product information

Isoaltholactone 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(2S,3S,3aS,7aS)-3-hydroxy-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one
SMILESC1=CC=C(C=C1)[C@H]2[C@@H]([C@H]3[C@@H](O2)C=CC(=O)O3)O
InChIKeyZKIRVBNLJKGIEM-XYJRDEOASA-N
Subclass / scaffoldKavalactones and derivatives
PubChem CID10399033

Computed properties

Exact mass (Da)232.0736Predicted LogP0.969
Predicted TPSA (Ų)55.76H-bond donors1
H-bond acceptors4Rotatable bonds1

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

View additional properties & classification
Ring count3
Aromatic rings1
Fraction Csp³0.308
Synthetic accessibility score3.73
QED score0.733
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStyrylpyrones
NPClassifier classKavalactones and derivatives
Parent SMILESO=C1C=C[C@@H]2O[C@@H](c3ccccc3)[C@H](O)[C@@H]2O1
Parent formulaC13H12O4
Parent molecular weight232.235
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceGoniothalamus aruensis
Reported source familiesAnnonaceae

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

View occurrence records & references
LOTUS / Wikidata speciesGoniothalamus aruensis[1]; Goniothalamus grandiflorus[1]; Goniothalamus griffithii[1]; Goniothalamus malayanus[1]; Goniothalamus montanus[1]; Goniothalamus tapis[1]
All reported source familiesAnnonaceae[6]
LOTUS species records6
LOTUS reference records4
COCONUT occurrence recordsGoniothalamus aruensis; Goniothalamus grandiflorus; Goniothalamus griffithii; Goniothalamus malayanus; Goniothalamus montanus; Goniothalamus tapis
COCONUT organism records6
COCONUT identifierCNP0383570.1

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

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