(1S,4aS,7R,7aS)-7-Hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, 98+%

cas: 5945-50-6 — see every product listed under this CAS number, including other names

(1S,4aS,7R,7aS)-7-Hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, 98+% (CAS 5945-50-6) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 100mg, 250mg, 1g. Offered by: Chemat, BLDpharm.

• 2D
• 3D

Monotropein is an iridoid monoterpenoid that is 1,4a,7,7a-tetrahydrocyclopenta[c]pyran substituted by a beta-D-glucopyranosyloxy group at position 1, a carboxylic acid group at position 4, and at position 7 by a hydroxy and hydroxymethyl groups respectively (the 1S,4aS,7R,7aS diastereomer). It has a role as a metabolite and an anti-inflammatory agent. It is a beta-D-glucoside, a monocarboxylic acid, a cyclopentapyran, an iridoid monoterpenoid and a monosaccharide derivative.

Source: ChEBI

Identity

Molecular formula	C16H22O11
Molecular weight	390.34 g/mol
IUPAC name	(1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
InChIKey	HPWWQPXTUDMRBI-NJPMDSMTSA-N
SMILES	C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O

Computed by PubChem (NCBI)

Synonyms: Monotropein, Monotropeine, Monotropein, >=98% (HPLC), Monotropein CRS, Monotropein (Standard), MONOTROPEIN [MI], orb1300203, orb3140643, (1S,4aS,7R,7aS)-1-(beta-D, Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-

Isomers (same molecular formula)

[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2R,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate C₁₆H₂₂O₁₁

(2,3,4,5-tetraacetyloxyoxan-2-yl)methyl acetate C₁₆H₂₂O₁₁

[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate C₁₆H₂₂O₁₁

[(2R,3R,4S,5S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2R,3R,4R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2S,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid C₁₆H₂₂O₁₁

[(2S,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁

[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C₁₆H₂₂O₁₁