Demethylagrimonolide 6-O-glucoside

Inquiry

For Research Use Only.

Category

Coumarins

Cat.No.

NP1047

CAS

1257408-55-1

Product Name

Demethylagrimonolide 6-O-glucoside

Structure

Product Details

Description

Demethylagrimonolide 6-O-glucoside is a natural product found in Agrimonia pilosa.

Synonyms

1H-2-Benzopyran-1-one, 6-(β-D-glucopyranosyloxy)-3,4-dihydro-8-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-, (3S)-; [(3S)-1-Oxo-3-(4-hydroxyphenethyl)-8-hydroxy-3,4-dihydro-1H-2-benzopyran-6-yl]beta-D-glucopyranoside

IUPAC Name

(3S)-8-hydroxy-3-[2-(4-hydroxyphenyl)ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-1-one

Molecular Weight

462.45

Molecular Formula

C23H26O10

Canonical SMILES

C1C(OC(=O)C2=C1C=C(C=C2O)OC3C(C(C(C(O3)CO)O)O)O)CCC4=CC=C(C=C4)O

InChI

InChI=1S/C23H26O10/c24-10-17-19(27)20(28)21(29)23(33-17)32-15-8-12-7-14(31-22(30)18(12)16(26)9-15)6-3-11-1-4-13(25)5-2-11/h1-2,4-5,8-9,14,17,19-21,23-29H,3,6-7,10H2/t14-,17+,19+,20-,21+,23+/m0/s1

InChIKey

QGOYZOZLRJZGAK-XMFIXVCISA-N

Boiling Point

842.6±65.0°C (Predicted)

Purity

≥95%

Density

1.511±0.06 g/cm3 (Predicted)

Solubility

Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate

Appearance

Powder

Storage

Store at -20°C

Form

Oil

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