trans-Khellactone

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For Research Use Only.

Category

Coumarins

Cat.No.

NP1040

CAS

23458-04-0

Product Name

trans-Khellactone

Structure

Description

trans-Khellactone is a coumarin isolated from the roots of Peucedanum wulongense.

Synonyms

(-)-trans-khellactone; (9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

IUPAC Name

(9R,10S)-9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

Molecular Weight

262.261

Molecular Formula

C14H14O5

Canonical SMILES

CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C

InChI

InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m0/s1

InChIKey

HKXQUNNSKMWIKJ-WCQYABFASA-N

Purity

98.0%

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