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CAS 196615-89-1

:

rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate

Description:
Rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate, with CAS number 196615-89-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as methoxy, hydroxyl, and carboxylate moieties. This compound features a spirocyclic framework, indicative of its unique stereochemistry and potential biological activity. The presence of dichloro and methyl substituents suggests that it may exhibit specific reactivity and interactions in chemical environments. Its chirality, denoted by the "rel-(+)" designation, implies that it has optical activity, which can influence its pharmacological properties. The compound's structural complexity may contribute to its potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Overall, this substance exemplifies the diversity of organic compounds and their potential roles in various chemical and biological processes.
Formula:C25H22Cl2O12
InChI:InChI=1S/C25H22Cl2O12/c1-8-15(26)20(38-19-10(23(33)36-3)7-12(29)17(30)18(19)31)14-21(16(8)27)39-25(22(14)32)11(24(34)37-4)5-9(28)6-13(25)35-2/h5-7,12,17-19,29-31H,1-4H3/t12-,17-,18+,19-,25+/m1/s1
InChI key:InChIKey=LNGFWDFUPRZMJI-VEHFIHCQSA-N
SMILES:C(OC)(=O)C=1[C@@]2(C(=O)C=3C(O2)=C(Cl)C(C)=C(Cl)C3O[C@@H]4C(C(OC)=O)=C[C@@H](O)[C@@H](O)[C@@H]4O)C(OC)=CC(=O)C1
Synonyms:
  • rel-(+)-Methyl (1′S)-5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylate
  • Sch 202596
  • Spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylic acid, 5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]-, methyl ester, [1α(S*),4β,5β,6α]-(+)-
  • Spiro[benzofuran-2(3H),1′-[2,5]cyclohexadiene]-2′-carboxylic acid, 5,7-dichloro-6′-methoxy-6-methyl-3,4′-dioxo-4-[[(1R,4R,5R,6S)-4,5,6-trihydroxy-2-(methoxycarbonyl)-2-cyclohexen-1-yl]oxy]-, methyl ester, (1′S)-rel-(+)-
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