CAS 1944-63-4

(3aS,4S,7aS)-Octahydro-7a-methyl-1,5-dioxo-1H-indene-4-propanoic acid

Description:

(3aS,4S,7aS)-Octahydro-7a-methyl-1,5-dioxo-1H-indene-4-propanoic acid, with CAS number 1944-63-4, is a chemical compound characterized by its unique bicyclic structure, which includes a dioxo functional group and a propanoic acid moiety. This compound features a saturated octahydroindene framework, contributing to its stability and potential biological activity. The stereochemistry indicated by the (3aS,4S,7aS) configuration suggests specific spatial arrangements of its substituents, which can influence its reactivity and interactions with biological systems. The presence of the dioxo groups typically suggests potential for hydrogen bonding and reactivity in various chemical environments. This compound may be of interest in medicinal chemistry and organic synthesis due to its structural features, which could lead to diverse applications in pharmaceuticals or agrochemicals. However, detailed studies on its biological activity, toxicity, and environmental impact would be necessary to fully understand its potential uses and safety profile.

Formula: C₁₃H₁₈O₄

InChI: InChI=1S/C13H18O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h8-9H,2-7H2,1H3,(H,16,17)/t8-,9-,13-/m0/s1

InChI key: InChIKey=PCCFNLPWOFTZPJ-RVBZMBCESA-N

SMILES: C[C@@]12[C@]([C@H](CCC(O)=O)C(=O)CC1)(CCC2=O)[H]

Synonyms:

• 7aβ-Methylhexahydroindane-1,5-dione-4α-(3-propionic acid)
• (3aS,4S,7aS)-Octahydro-7a-methyl-1,5-dioxo-1H-indene-4-propanoic acid
• 4-Indanpropionic acid, 3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-1,5-dioxo-
• 1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, [3aS-(3aα,4α,7aβ)]-
• 1H-Indene-4-propanoic acid, octahydro-7a-methyl-1,5-dioxo-, (3aS,4S,7aS)-

1,5-Dioxo-7aBeta-methyl-3aAlpha-hexahydroindane-4α-propionic Acid

Controlled Product

CAS: 1944-63-4

Formula: C₁₃H₁₈O₄

Color and Shape: Neat

Molecular weight: 238.28

Ref: TR-D486450