Products 22255-40-9

CAS 22255-40-9 appears in our catalog under these names: Loganic acid, 95%, Loganic Acid, Loganic acid, Loganic acid/ 98%, Loganic Acid, >90.0%(qNMR). Offered by: Combi-blocks, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: 100mg, 10mg, 2mg, 5mg, 20mg, 25mg, 50mg, 250mg.

Structural formula: {0} (CAS {1})

Loganic acid is a cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively. It has a role as a plant metabolite. It is a glucoside, a cyclopentapyran and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a loganate.

Source: ChEBI

Identity
Molecular formulaC16H24O10
Molecular weight376.36 g/mol
IUPAC name(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
InChIKeyJNNGEAWILNVFFD-CDJYTOATSA-N
SMILESC[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed by PubChem (NCBI)