Products 2252345-81-4

CAS 2252345-81-4 appears in our catalog under these names: Vaccarin E, Vaccarin E, Vaccarin E, ≥98%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 10mg, 5mg, 5 mg, 10 mg, 1 mg, 20mg, 50mg.

Vaccarin E
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 806.26
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Vaccarin E
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 719.08
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Vaccarin E, ≥98%
Chemat
  • size: 10mg, 20mg, 50mg, 100mg
  • Variants: 6
from 1542.80
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-6-[6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (CAS 2252345-81-4) is a chemical compound with the molecular formula C42H48O22 and a molecular weight of 904.8 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-6-[6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate. InChIKey: CIVMKCGGDCNCEA-XSTIHWQGSA-N.

Identity
Molecular formulaC42H48O22
Molecular weight904.8 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-6-[6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
InChIKeyCIVMKCGGDCNCEA-XSTIHWQGSA-N
SMILESCOC1=C(C=CC(=C1)CCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Vaccarin E, orb1680341