CAS 1892-56-4

(8S,9R)-8,9-Dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl 3-methylbutanoate

Description:

The chemical substance known as "(8S,9R)-8,9-Dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl 3-methylbutanoate," with the CAS number 1892-56-4, is a complex organic compound characterized by its unique structural features. It belongs to the class of flavonoids, which are known for their diverse biological activities. The compound contains multiple functional groups, including a furobenzopyran core, which contributes to its potential pharmacological properties. The stereochemistry indicated by the (8S,9R) configuration suggests specific spatial arrangements that may influence its interaction with biological targets. Additionally, the presence of ester and ketone functionalities enhances its reactivity and solubility in organic solvents. This compound may exhibit antioxidant, anti-inflammatory, or other therapeutic effects, typical of many flavonoids, although specific biological activities would require further investigation. Its complex structure and stereochemistry make it a subject of interest in medicinal chemistry and natural product research.

Formula: C₂₄H₃₀O₇

InChI: InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1

InChI key: InChIKey=KPLBOWKEQXYXSD-PKTZIBPZSA-N

SMILES: O(C(CC(C)C)=O)[C@@H]1C=2C3=C(C=CC2O[C@@H]1[C@](OC(CC(C)C)=O)(C)C)C=CC(=O)O3

Synonyms:

• Butanoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester
• 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, diisovalerate
• 2-{(8S,9R)-9-[(3-methylbutanoyl)oxy]-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl}propan-2-yl 3-methylbutanoate
• Athamantin
• Isovaleric acid, diester with 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one, (8S,9R)-
• Butanoic acid, 3-methyl-, 8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, (8S-cis)-
• Butanoic acid, 3-methyl-, 8,9-dihydro-8-(1-methyl-1-(3-methyl-1-oxobutoxy)ethyl)-2-oxo-2H-furo(2,3-h)-1-benzopyran-9-yl ester, (8S-cis)-
• (8S-cis)-8,9-Dihydro-8-(1-methyl-1-(3-methyl-1-oxobutoxy)ethyl)-2-oxo-2H-furo(2,3-h)-1-benzopyran-9-yl 3-methylbutanoate

Athamantin

CAS: 1892-56-4

Athamantin is a natural product that can be used as a reference standard. The CAS number of Athamantin is 1892-56-4.

Formula: C₂₄H₃₀O₇

Color and Shape: Solid

Molecular weight: 430.497

Ref: TM-T125493