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Chlorogenic Acid Hemihydrate

  • CAS No:6001-76-9 (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,<br />5-trihydroxycyclohexane-1-carboxylic acid
    Molecular Structure

    Other Information

  • CAS Registry Number: 6001-76-9
  • Melting Point: 206-210 ºC
  • EINECS: 206-325-6
  • Molecular Weight: 726.63272
  • InchiKey: KMUJVRDSAIKKTF-MTDLMOCGSA-N
  • InChI: InChI=1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,
    15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,
    23);1H2/b2*4-2+;/t2*11-,12-,14-,16+;/m11./s1
  • Molecular Formula: C32H38O19