Butanoic acid,3-methyl-,(9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester

cas: 53023-17-9 — see every product listed under this CAS number, including other names

Butanoic acid,3-methyl-,(9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-ylester (CAS 53023-17-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg, 10mg, 25mg, 50mg. Offered by: Chemat.

• 2D
• 3D

[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate (CAS 53023-17-9) is a chemical compound with the molecular formula C21H24O7 and a molecular weight of 388.4 g/mol. IUPAC name: [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate. InChIKey: KLUTZDJBVDPOFE-WOJBJXKFSA-N.

Identity

Molecular formula	C21H24O7
Molecular weight	388.4 g/mol
IUPAC name	[(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
InChIKey	KLUTZDJBVDPOFE-WOJBJXKFSA-N
SMILES	CC(C)CC(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Suksdorfin, 3'-O-Acetyl-4'-O-isovaleryl-cis-khellactone, Saxdorphin, Pyranocoumarin iBuCOO deriv., orb1740334, 3'-O-Acetyl-4'-O-isopentanoyl-(+)-cis-khellactone

Isomers (same molecular formula)

[(9S,10S)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate C₂₁H₂₄O₇

(2R,5R,9S,10R,11R,12S)-12-acetyloxy-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid C₂₁H₂₄O₇

[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] 3-methylbutanoate C₂₁H₂₄O₇

3-[[4-acetyl-2,3,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one C₂₁H₂₄O₇

[(9R,10R)-10-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (2R)-2-methylbutanoate C₂₁H₂₄O₇

4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol C₂₁H₂₄O₇

4-[(2R,3S)-3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenol C₂₁H₂₄O₇

[(3E,3aR,4R,8bR)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-2-oxo-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-4-yl] acetate C₂₁H₂₄O₇

(3R,4R)-3-[(R)-(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C₂₁H₂₄O₇

[(1R,2S,3S,5S,8S,10S,11R,13R)-8-(furan-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate C₂₁H₂₄O₇

[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate C₂₁H₂₄O₇

(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one C₂₁H₂₄O₇