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
- 452240
- 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
- AC1L9Q6C
- CHEMBL501154
- SCHEMBL29399095
- GN-28
- NSC69862
- BDBM50377925
- C41H32O27
- CID452240
- NSC 69862
- ZINC169356891
- C41-H32-O27
- Q5089010
- 18942-26-2
- .beta.-D-Glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate), cyclic 2.2:4.1-ester with (2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid
- .beta.-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)-4-hydroxy-1,2,4-butanetricar- boxylic acid, 1,3,6-tris(3,4,5-trihydroxybenzoate)
- 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-[trihydroxy-trioxo-bis[(3,4,5-trihydroxybenzoyl)oxy]-[(3,4,5-trihydroxybenzoyl)oxymethyl][?]yl]acetic acid