32142-31-7,Vanillic acid 4-β-D-glucoside, CAS:32142-31-7
C14H18O9 / 330.287
Vanillic Acid 4-β-D-glucopyranoside can be isolated from the fruits of C. annuum as well as the leaves of various additional plants. It belongs to a class of compounds known as hydrolyzable tannins and can be phytotoxic against different species.
CAS Number | 32142-31-7 |
Product Name | 4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid |
IUPAC Name | 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid |
Molecular Formula | C14H18O9 |
Molecular Weight | 330.29 g/mol |
InChI | InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1 |
InChI Key | JYFOSWJYZIVJPO-YGEZULPYSA-N |
SMILES | COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
Synonyms | 4-(β-D-glucopyranosyloxy)-3-methoxy-benzoic acid |
Canonical SMILES | COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O |
Isomeric SMILES | COC1=C(C=CC(=C1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
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