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Home > Product > Heterocyclic Organic Compounds > 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)

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 Number: 88399-23-9

Catalog Number
ACM88399239
Product Name
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 Number
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
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
Molecular Weight
859.7132
Molecular Formula
C39H39O22.Cl
Density
g/cm3
Purity
96%
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
InChIKey
LXITVYYZHYMDFB-AWJFVBHYSA-O
H-Bond Donor
12
H-Bond Acceptor
21
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