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CAS 737005-97-9

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2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, (2Z)-rel-

Description:
2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, with the CAS number 737005-97-9, is a complex organic compound characterized by its unique structural features, including multiple functional groups and stereocenters. This compound belongs to a class of molecules known as esters, which are typically formed from the reaction of an alcohol and a carboxylic acid. The presence of the butenoic acid moiety suggests it may exhibit properties associated with unsaturated carboxylic acids, such as reactivity in addition reactions. The benzo-dipyran structure indicates potential applications in medicinal chemistry, possibly exhibiting biological activity due to its intricate arrangement of rings and substituents. The stereochemistry, denoted by the (9R,10R) configuration, implies specific spatial arrangements that can influence the compound's reactivity and interactions with biological targets. Overall, this compound's complexity suggests potential utility in various chemical and pharmaceutical applications, although specific properties such as solubility, melting point, and biological activity would require empirical investigation.
Formula:C21H22O7
InChI:InChI=1/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/s2
InChI key:InChIKey=LYUZYPKZQDYMEE-CCNCVOGQNA-N
SMILES:O(C(/C(=C\C)/C)=O)[C@@H]1C=2C3=C(C=CC2OC(C)(C)[C@@H]1OC(C)=O)C=CC(=O)O3
Synonyms:
  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, (2Z)-rel-
  • 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-10-yl ester, (2Z)-rel- (9CI)
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