1-Benzopyrylium,5-[[6-O-(carboxyacetyl)-b-D-glucopyranosyl]oxy]-7-hydroxy-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-,chloride(9ci)

CAS

88399-23-9

Catalog Number

ACM88399239

Category

Other Products

Molecular Weight

859.7132

Molecular Formula

C₃₉H₃₉O₂₂.Cl

MSDS COA Spec Sheet

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Specification

Synonyms

Malonylawobanin, AC1NQYAL, C08653, 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid, 88399-23-9

IUPAC Name

3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxan-2-yl]methoxy]propanoic acid

Canonical SMILES

C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5C(C(C(C(O5)COC(=O)CC(=O)O)O)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)O)O

InChI Key

LXITVYYZHYMDFB-AWJFVBHYSA-O

Density

g/cm³

H-Bond Acceptor

H-Bond Donor