Products 82958-44-9

CAS 82958-44-9 appears in our catalog under these names: 11-O-Galloylbergenin/ 99.16% (existing batch purity), 11-O-Galloylbergenin, 11-O-Galloylbergenin, 99.51%. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg, 20mg, 5 mg.

11-O-Galloylbergenin/ 99.16% (existing batch purity)
TargetMol
  • size: 1mg, 2mg, 5mg, 10mg
  • Variants: 6
from 1415.27
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11-O-Galloylbergenin
Chemat
  • size: 1mg, 5mg, 20mg, 10mg
  • Variants: 4
from 870.80
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11-O-Galloylbergenin, 99.51%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 983.78
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate (CAS 82958-44-9) is a chemical compound with the molecular formula C21H20O13 and a molecular weight of 480.4 g/mol. IUPAC name: [(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate. InChIKey: CDRRULDABVKKHU-YQBPHPIXSA-N.

Identity
Molecular formulaC21H20O13
Molecular weight480.4 g/mol
IUPAC name[(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 3,4,5-trihydroxybenzoate
InChIKeyCDRRULDABVKKHU-YQBPHPIXSA-N
SMILESCOC1=C(C=C2C(=C1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC2=O)O

Computed by PubChem (NCBI)

Synonyms: 11-o-Galloylbergenin, orb1692116
Isomers (same molecular formula)
5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one C21H20O13
5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one C21H20O13
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O13
2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O13
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O13
2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one C21H20O13
3,5,7,8-tetrahydroxy-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one C21H20O13
[3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate C21H20O13
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C21H20O13