4H-1-Benzopyran-4-One,7-[[2-O-(6-o-acetyl-b-D-glucopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-

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Catalog Number
ACM135546086
Product Name
4H-1-Benzopyran-4-One,7-[[2-O-(6-o-acetyl-b-D-glucopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-
Structure
Structure
CAS
135546-08-6
Category
Heterocyclic Organic Compound
Synonyms
Linariifolioside, CID5492485, 135546-08-6, 4H-1-Benzopyran-4-one, 7-((2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-
IUPAC Name
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Molecular Weight
652.555
Molecular Formula
C29H32O17
Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
InChI Key
SDLRUUXTNVUGJL-DVFSQAIQSA-N
Boiling Point
988.5ºC at 760mmHg
Flash Point
321.8ºC
Density
1.75g/cm³
Exact Mass
652.16400
H-Bond Acceptor
17
H-Bond Donor
9
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