Gancaonin I

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For Research Use Only.

Category

Phenols

Cat.No.

NP4660

CAS

126716-36-7

Product Name

Gancaonin I

Structure

Description

Gancaonin I is a natural phenolic compound found in several plants.

Synonyms

4-[4,6-Dimethoxy-5-(3-methyl-2-buten-1-yl)-2-benzofuranyl]-1,3-benzenediol

IUPAC Name

4-[4,6-dimethoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol

Molecular Weight

354.4

Molecular Formula

C21H22O5

Canonical SMILES

CC(=CCC1=C(C=C2C(=C1OC)C=C(O2)C3=C(C=C(C=C3)O)O)OC)C

InChI

InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3

InChIKey

DKVBYQAVNNRVNN-UHFFFAOYSA-N

Boiling Point

534.2±45.0 °C(Predicted)

Melting Point

125 - 127 °C

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Brown powder

pKa

8.75±0.35(Predicted)

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