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چبولینیک اسید

Structure via PubChem · Public domain (PubChem)

EntityQ5089010· pop 7· linked from 51 articles

چبولینیک اسید

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chemical compound

In the Vinony graph

Vinony's link graph records 51 inbound references to چبولینیک اسید, and connects out to digital object identifier, chemical formula and molar mass.

It is catalogued under topics including Benzoate esters, Chembox image size set and Ellagitannins.

Vinony links it to 7 Wikipedia language editions.

Chemical data

Formula: C41H32O27
Molecular weight: 956.7 g/mol
IUPAC name: 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
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
InChIKey: YGVHOSGNOYKRIH-JHSYUSIXSA-N
XLogP: 0.7
Polar surface area: 447 Å²
H-bond donors: 13
H-bond acceptors: 27
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Mass: 956.113096

Show 4 more facts

canonical SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
chemical formula: C₄₁H₃₂O₂₇
isomeric 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
found in taxon: Lumnitzera racemosa

Sources (1)

wikidata.org

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Categories

Benzoate esters Chembox image size set Ellagitannins Pyrogallols