Products 54081-47-9

CAS 54081-47-9 appears in our catalog under these names: Neosmitilbin/ 99.49% (existing batch purity), Neosmitilbin, Neoastilbin, (2S,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chroman-4-one, 99.49% ,, 99.49% ,, Neosmitilbin, 99.90%. Offered by: TargetMol, GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 2mg, 25mg, 10 mg, 5 mg.

Neosmitilbin/ 99.49% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 452.11
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Neosmitilbin
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 625.12
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Neoastilbin
Biosynth
  • size: 1mg, 2mg, 5mg, 10mg
  • Variants: 5
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(2S,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chroman-4-one, 99.49% ,, 99.49% ,
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 467.60
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Neosmitilbin, 99.90%
MedChemExpress
  • size: 10 mg, 5 mg
  • Variants: 2
from 742.30
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Structural formula: {0} (CAS {1})

Neoastilbin is a flavanone glycoside that is ()-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It is a member of 4'-hydroxyflavanones, an alpha-L-rhamnoside, a tetrahydroxyflavanone, a member of 3'-hydroxyflavanones, a monosaccharide derivative and a flavanone glycoside. It is functionally related to a (-)-taxifolin. It is an enantiomer of an astilbin.

Source: ChEBI

Identity
Molecular formulaC21H22O11
Molecular weight450.4 g/mol
IUPAC name(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
InChIKeyZROGCCBNZBKLEL-MFSALPCASA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Neoastilbin, (2S,3S)-Taxifolin 3-rhamnoside, NEOSMITILBIN, (2S,3S)-dihydroquercetin 3-O-alpha-L-rhamnoside, orb1217901, orb1297272
Related forms of this compound
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
Isomers (same molecular formula)
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H22O11
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O11
(E)-3-(4-hydroxyphenyl)-1-[3,4,6-trihydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O11
(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11