Isocalophyllic Acid

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Catalog Number ACM157810769
CAS 157810-76-9
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 420.5
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
Purity 98%
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