Products 6001-76-9

CAS 6001-76-9 appears in our catalog under these names: Chlorogenic acid hemihydrate, 95%, Chlorogenic acid hemihydrate. Offered by: Combi-blocks, Biosynth. Available pack sizes: 5g, 1g.

Chlorogenic acid hemihydrate, 95%
Combi-blocks
  • size: 5g, 1g
  • Variants: 2
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Chlorogenic acid hemihydrate
Biosynth
  • size: 5g
  • Variants: 1
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Structural formula: {0} (CAS {1})

Bis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate (CAS 6001-76-9) is a chemical compound with the molecular formula C32H38O19 and a molecular weight of 726.6 g/mol. IUPAC name: bis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate. InChIKey: KMUJVRDSAIKKTF-MTDLMOCGSA-N.

Identity
Molecular formulaC32H38O19
Molecular weight726.6 g/mol
IUPAC namebis((1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid);hydrate
InChIKeyKMUJVRDSAIKKTF-MTDLMOCGSA-N
SMILESC1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.C1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.O

Computed by PubChem (NCBI)

Synonyms: Chlorogenic acid hemihydrate, CHLOROGENICACIDHEMIHYDRATE, KMUJVRDSAIKKTF-MTDLMOCGSA-N, Chlorogenic acid hemihydrate, >=98.0% (T)