Products 100692-52-2

CAS 100692-52-2 is the registry number for Pueroside A. Offered by: Biosynth, MedChemExpress. Available pack sizes: 10mg, 25mg, 50mg, Get quote.

Pueroside A
Biosynth, MedChemExpress
  • size: 10mg, 25mg, 50mg, Get quote
  • Variants: 4
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Structural formula: {0} (CAS {1})

2-[(4-hydroxyphenyl)methyl]-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2H-furan-5-one (CAS 100692-52-2) is a chemical compound with the molecular formula C29H34O14 and a molecular weight of 606.6 g/mol. IUPAC name: 2-[(4-hydroxyphenyl)methyl]-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2H-furan-5-one. InChIKey: OOKTUPFXORHAKH-SAYPOZPISA-N.

Identity
Molecular formulaC29H34O14
Molecular weight606.6 g/mol
IUPAC name2-[(4-hydroxyphenyl)methyl]-3-[4-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2H-furan-5-one
InChIKeyOOKTUPFXORHAKH-SAYPOZPISA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=CC(=C3)O)C4=CC(=O)OC4CC5=CC=C(C=C5)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Pueroside A, orb1681825
Isomers (same molecular formula)
(5R,6R,7R,8S)-8-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-(4-hydroxy-3,5-dimethoxyphenyl)-7-(hydroxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid C29H34O14
6-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one C29H34O14
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one C29H34O14