Products 18913-60-5

CAS 18913-60-5 is the registry number for Neochebulinic acid, ≥98%, ≥98%. Offered by: Chemat. Available pack sizes: 5mg.

Neochebulinic acid, ≥98%, ≥98%
Chemat
  • size: 5mg
  • Variants: 1
from 4494.80
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Structural formula: {0} (CAS {1})

4-[3-carboxy-1-[5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid (CAS 18913-60-5) is a chemical compound with the molecular formula C41H34O28 and a molecular weight of 974.7 g/mol. IUPAC name: 4-[3-carboxy-1-[5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid. InChIKey: LMHADULVMWIGNJ-UHFFFAOYSA-N.

Identity
Molecular formulaC41H34O28
Molecular weight974.7 g/mol
IUPAC name4-[3-carboxy-1-[5-hydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl]oxy-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
InChIKeyLMHADULVMWIGNJ-UHFFFAOYSA-N
SMILESC1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C(CC(=O)O)C5C(OC(=O)C6=CC(=C(C(=C56)O)O)O)C(=O)O

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