Cas no 87099-72-7 (3-O-(E)-Feruloylquinic Acid)

3-O-(E)-Feruloylquinic Acid structure
3-O-(E)-Feruloylquinic Acid structure
Product Name:3-O-(E)-Feruloylquinic Acid
CAS No:87099-72-7
MF:C17H20O9
MW:368.335306167603
CID:659363
Update Time:2024-03-01

3-O-(E)-Feruloylquinic Acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylic acid,1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, (1R,3R,4S,5R)-
    • 5-O-(E)-Feruloylquinic Acid
    • 3-Feruloylquinic acid
    • 1DG2CT594J
    • 5-O-Feruloylquinic acid
    • 3-O-(E)-Feruloylquinic acid
    • MEGxp0_000450
    • Q27252281
    • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-, (1R,3R,4S,5
    • 3-O-(E)-Feruloylquinic Acid
    • Inchi: 1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15+,17-/m1/s1
    • InChI Key: RAGZUCNPTLULOL-KQJPBSFVSA-N
    • SMILES: O(C(/C=C/C1C=CC(=C(C=1)OC)O)=O)[C@H]1[C@H]([C@@H](C[C@](C(=O)O)(C1)O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 548
  • Topological Polar Surface Area: 154

3-O-(E)-Feruloylquinic Acid Pricemore >>

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