Chebulic acid

CAS Registry Number®

23725-05-5
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CAS Name

Chebulic acid

Molecular Formula

C14H12O11

Molecular Mass

356.24

Cite this Page

Chebulic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23725-05-5 (retrieved 2024-05-02) (CAS RN: 23725-05-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m0/s1

InChIKey

InChIKey=COZMWVAACFYLBI-XJEVXTIOSA-N

SMILES

[C@@H](CC(O)=O)(C(O)=O)[C@]1(C=2C(C(=O)O[C@@H]1C(O)=O)=CC(O)=C(O)C2O)[H]

Canonical SMILES

O=C(O)CC(C(=O)O)C1C2=C(O)C(O)=C(O)C=C2C(=O)OC1C(=O)O

Other Names for this Substance

  • Butanedioic acid, [(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-, (2S)-
  • 4-Isochromansuccinic acid, 3-carboxy-5,6,7-trihydroxy-1-oxo-
  • Chebulic acid
  • Butanedioic acid, (3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-, [3S-[3α,4β(R*)]]-
  • (2S)-[(3S,4S)-3-Carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]butanedioic acid

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Deleted or Replaced CAS Registry Numbers

476-65-3, 27739-95-3

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