Products 174972-80-6

CAS 174972-80-6 appears in our catalog under these names: Parishin C, Parishin C/ 100%, 3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-β-D-glucopyranoside, 99.91% ,, 99.91% ,, Parishin C, 99.81%, Parishin C (Standard). Offered by: GLPBio, TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 25mg, 50mg, 10mM/1mL, 5 mg, 1 mg.

Parishin C
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 751.50
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Parishin C/ 100%
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 532.05
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3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-β-D-glucopyranoside, 99.91% ,, 99.91% ,
Chemat
  • size: 5mg, 10mg, 1mg
  • Variants: 3
from 352.40
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Parishin C, 99.81%
MedChemExpress
  • size: 10mM/1mL, 5 mg, 1 mg, 10 mg
  • Variants: 4
from 505.45
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Parishin C (Standard)
MedChemExpress
  • size: 5 mg, 10 mg, 25 mg, 50 mg
  • Variants: 5
from 2613.83
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3-Carboxy-3-hydroxy-1,5-dioxo-1,5-pentanediylbis(oxymethylene-4,1-phenylene) bis-β-D-glucopyranoside, 98%
Chemat
  • size: 20mg, 100mg
  • Variants: 2
from 856.40
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Structural formula: {0} (CAS {1})

2-hydroxy-4-oxo-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butanoic acid (CAS 174972-80-6) is a chemical compound with the molecular formula C32H40O19 and a molecular weight of 728.6 g/mol. IUPAC name: 2-hydroxy-4-oxo-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butanoic acid. InChIKey: PMVCHAWVCIWVLP-KDSCYBBXSA-N.

Identity
Molecular formulaC32H40O19
Molecular weight728.6 g/mol
IUPAC name2-hydroxy-4-oxo-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]-4-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]butanoic acid
InChIKeyPMVCHAWVCIWVLP-KDSCYBBXSA-N
SMILESC1=CC(=CC=C1COC(=O)CC(CC(=O)OCC2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C(=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Parishin C, 1,3-bis(4-(D-glucopyranosyloxy)benzyl)citrate, ParishinC, Parishin C (Standard), orb1220461, orb1685022, orb3139408
Isomers (same molecular formula)
3-hydroxy-5-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid C32H40O19
(2S)-7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-4-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one C32H40O19