Isocalophyllic acid

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For Research Use Only.

Category

Phenols

Cat.No.

NP5101

CAS

157810-76-9

Product Name

Isocalophyllic acid

Structure

Product Details

Description

Isocalophyllic acid is a natural product found in Calophyllum inophyllum.

Synonyms

3-(5-Hydroxy-2,3,8,8-tetramethyl-4-oxo-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-6-yl)-3-phenyl-acrylic acid

IUPAC Name

(Z)-3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]-3-phenylprop-2-enoic acid

Molecular Weight

420.45

Molecular Formula

C25H24O6

Canonical SMILES

CC1C(OC2=C3C=CC(OC3=C(C(=C2C1=O)O)C(=CC(=O)O)C4=CC=CC=C4)(C)C)C

InChI

InChI=1S/C25H24O6/c1-13-14(2)30-23-16-10-11-25(3,4)31-24(16)19(22(29)20(23)21(13)28)17(12-18(26)27)15-8-6-5-7-9-15/h5-14,29H,1-4H3,(H,26,27)/b17-12-/t13-,14+/m0/s1

InChIKey

SSJOJPHKKKSPGS-ALRNZDJHSA-N

Boiling Point

633.7±55.0 °C at 760 mmHg

Purity

98%

Density

1.259±0.06 g/cm3

Form

Powder

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