Chemical Compound

Chebulinic acid

CAS Registry Number 18942-26-2
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Chebulinic acid chemical structure
Primary Record

Chebulinic acid

In stock
8,279 g
Purity
98.8 %
CAS
18942-26-2

Compound Identifiers & Properties

CAS
18942-26-2
PubChem CID
99937814
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
Canonical SMILES
O=C(O)C[C@@H]1C(=O)O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]1[C@@H](O)C(=O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1

Names & Synonyms

  • Chebulinic acid
  • Eutannin
  • HVC8VQJ6EK
  • RefChem:32219
  • UNII-HVC8VQJ6EK
  • Chebulinic acid (Standard)
  • 18942-26-2
  • DTXSID30940460
  • HY-N2033R
  • NSC-69862
  • YGVHOSGNOYKRIH-UHFFFAOYSA-N
  • DTXCID801368922
  • HY-N2033
  • MFCD06656295
  • NSC 69862
  • ZINC215831490
  • ACN-047420
  • CS-5819
  • CID:99937814
  • SID:53789673
  • A880450
  • C103481
  • .BETA.-D-GLUCOPYRANOSE, 1,3,6-TRIS(3,4,5-TRIHYDROXYBENZOATE), CYCLIC 2->2:4->1-ESTER WITH (2S)-((3R,4S)-5-CARBOXY-3,4-DIHYDRO-3,7,8-TRIHYDROXY-2-OXO-2H-1-BENZOPYRAN-4-YL)BUTANEDIOIC ACID
  • [(4R,5S,7R,8R,11S,12S,13R,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis(3,4,5-trihydroxybenzoyloxy)-7-[(3,4,5-trihydroxybenzoyloxy)methyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.1?,?.0(1)?,(2)?]henicosa-1(20),16,18-trien-11-yl]acetic acid
  • 2-((4R,5S,7R,8R,11R,12S,13S,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis((3,4,5-trihydroxybenzoyl)oxy)-7-((3,4,5-trihydroxybenzoyl)oxymethyl)-3,6,9,15-tetraoxatetracyclo(10.7.1.14,8.016,20)henicosa-1(19),16(20),17-trien-11-yl)acetic acid
  • 2-[(4R,5S,7R,8R,11S,12S,13R,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid
  • beta-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)-4-hydroxy-1,2,4-butanetricarboxylic acid, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • ss-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 2?2:4?1-ester with (2S)-[(3R,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid; 7,11-Methanopyrano[4,3,2-kl][2,5,8]benzotrioxacyclotridecin, ss-D-glucopyranose deriv.; Chebulinic acid; Eutannin; NSC 69862