Coumarins

(+)-trans-Khellactone

(+)-反式-白花前胡内酯

PHY-NP-16590 · Natural product research catalog

Catalog number	PHY-NP-16590
CAS number	20516-17-0
Molecular formula	C₁₄H₁₄O₅
Molecular weight	262.261 g/mol
Chemical class	Coumarins
Main reported source	Peucedanum japonicum
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.

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(+)-trans-Khellactone is listed in the Coumarins 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.

IUPAC name	(9S,10R)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
SMILES	CC1([C@H]([C@@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C
InChIKey	HKXQUNNSKMWIKJ-YPMHNXCESA-N
Subclass / scaffold	Pyranocoumarins
PubChem CID	11436940

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

View additional properties & classification

Ring count	3
Aromatic rings	2
Fraction Csp³	0.357
Synthetic accessibility score	3.45
QED score	0.701
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Coumarins
NPClassifier class	Pyranocoumarins
Parent SMILES	CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@@H]1O
Parent formula	C₁₄H₁₄O₅
Parent molecular weight	262.261
Specified stereocenters	2
Unspecified stereocenters	0

Main reported source	Peucedanum japonicum
Reported source families	Apiaceae

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

View occurrence records & references

LOTUS / Wikidata species	Peucedanum japonicum[1]
All reported source families	Apiaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Angelica decursiva; Peucedanum japonicum; Peucedanum praeruptorum
COCONUT organism records	3
COCONUT identifier	CNP0179420.2

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

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

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