Products 28196-46-5

CAS 28196-46-5 appears in our catalog under these names: Neochebulagic acid, Neochebulagic acid, 96.71%, Neochebulagic acid, ≥90%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 5mg, 1mg, 1 mg, 5 mg, 10 mg, 50 mg, 25 mg, 10mg.

Neochebulagic acid
GLPBio
  • size: 5mg, 1mg
  • Variants: 2
from 1238.27
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Neochebulagic acid, 96.71%
MedChemExpress
  • size: 1 mg, 5 mg, 10 mg, 50 mg
  • Variants: 5
from 876.97
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Neochebulagic acid, ≥90%
Chemat
  • size: 10mg
  • Variants: 1
from 1840.40
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Structural formula: {0} (CAS {1})

4-[3-carboxy-1-[[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid (CAS 28196-46-5) is a chemical compound with the molecular formula C41H32O28 and a molecular weight of 972.7 g/mol. IUPAC name: 4-[3-carboxy-1-[[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid. InChIKey: MEUUWCKGFAIYFH-UHFFFAOYSA-N.

Identity
Molecular formulaC41H32O28
Molecular weight972.7 g/mol
IUPAC name4-[3-carboxy-1-[[6,7,8,11,12,13,22-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-23-yl]oxy]-1-oxopropan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
InChIKeyMEUUWCKGFAIYFH-UHFFFAOYSA-N
SMILESC1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)OC(=O)C(CC(=O)O)C6C(OC(=O)C7=CC(=C(C(=C67)O)O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Neochebulagic acid, orb1684381