Products 87441-89-2

CAS 87441-89-2 is the registry number for Coatline B. Offered by: Sigma-Aldrich. Available pack sizes: 1MG.

Coatline B
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 1909.00
View product
Structural formula: {0} (CAS {1})

(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one (CAS 87441-89-2) is a chemical compound with the molecular formula C21H24O11 and a molecular weight of 452.4 g/mol. IUPAC name: (2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one. InChIKey: LNVWGAALAQOWHF-IUOSPEFCSA-N.

Identity
Molecular formulaC21H24O11
Molecular weight452.4 g/mol
IUPAC name(2R)-3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxypropan-1-one
InChIKeyLNVWGAALAQOWHF-IUOSPEFCSA-N
SMILESC1=CC(=C(C=C1C[C@H](C(=O)C2=C(C(=C(C=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Coatline B, orb1992538
Isomers (same molecular formula)
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-formylphenoxy)oxan-2-yl]methyl acetate C21H24O11
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-formylphenoxy)oxan-2-yl]methyl acetate C21H24O11
3-(3,4-dihydroxyphenyl)-1-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]propan-1-one C21H24O11
[5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxy-6-methoxybenzoate C21H24O11
benzyl (2S,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxane-2-carboxylate C21H24O11
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate C21H24O11
(2S,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C21H24O11
3-(3,4-dihydroxyphenyl)-1-[2,6-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one C21H24O11
3-(3,4-dihydroxyphenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one C21H24O11
(2R,3R,4S,5S,6R)-2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C21H24O11
(2R,3S)-2-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol C21H24O11