trans-3'-O-Benzoyl-4'-O-methylkhellactone

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For Research Use Only.

Category

Coumarins

Cat.No.

NP1067

CAS

23733-95-1

Product Name

trans-3'-O-Benzoyl-4'-O-methylkhellactone

Structure

Description

trans-3'-O-Benzoyl-4'-O-methylkhellactone is a coumarin isolated from the roots of Peucedanum praeruptorum Dunn.

Synonyms

(10-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) benzoate

IUPAC Name

(10-methoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl) benzoate

Molecular Weight

380.396

Molecular Formula

C22H20O6

Canonical SMILES

CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20O6/c1-22(2)20(27-21(24)14-7-5-4-6-8-14)19(25-3)17-15(28-22)11-9-13-10-12-16(23)26-18(13)17/h4-12,19-20H,1-3H3

InChIKey

QVMVCBJWWVINMQ-UHFFFAOYSA-N

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