CAS 16964-56-0

(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde

Description:

The chemical substance with the name "(1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde" and CAS number 16964-56-0 is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a spirocyclic structure, which is indicative of its unique three-dimensional arrangement, contributing to its potential biological activity. The presence of hydroxyl, acetyloxy, and aldehyde functional groups suggests that it may exhibit various chemical reactivities, including hydrogen bonding and potential interactions with biological macromolecules. The compound's multiple chiral centers imply that it may exist in different stereoisomeric forms, which can significantly influence its pharmacological properties. Additionally, the presence of a dioxo group and a methylene bridge enhances its structural complexity, potentially affecting its solubility and stability in different environments. Overall, this compound's unique characteristics make it a subject of interest in fields such as medicinal chemistry and natural product synthesis.

Formula: C₂₂H₂₈O₇

InChI: InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1

InChI key: InChIKey=ORDKVFHKMGUXSQ-MVVUPFSZSA-N

SMILES: C(=O)[C@H]1[C@]2([C@]3([C@]4(C[C@@](C[C@@H]3O)(C(=C)C4=O)[H])C(=O)OC2)[H])[C@@H](OC(C)=O)CCC1(C)C

Synonyms:

• (1S,2R,4′aS,5′S,7′S,9′aS)-6-(Acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxospiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde
• Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-, [4′S-[4′α(2S*,6R*),4′aβ,5′β,7′α,9′aα]]-
• Isodonal
• Spiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5′-hydroxy-3,3-dimethyl-8′-methylene-1′,9′-dioxo-, (1S,2R,4′aS,5′S,7′S,9′aS)-

Isodonal

CAS: 16964-56-0

Isodonal shows abilities to inhibit K562 cells camparable to that of cisplatin.

Formula: C₂₂H₂₈O₇

Purity: 98%

Color and Shape: Solid

Molecular weight: 404.45

Ref: TM-TN4284

Isodonal

CAS: 16964-56-0

Isodonal is an antimicrobial compound, derived from naturally occurring botanical sources, with a targeted action that disrupts microbial cell walls. This disruption leads to the effective elimination of a wide range of pathogenic microorganisms, including bacteria and fungi. The mode of action involves penetrating the lipid bilayer of microbial cells, causing leakage of intracellular components and subsequent cell death.

Formula: C₂₂H₂₈O₇

Purity: Min. 95%

Molecular weight: 404.45 g/mol

Ref: 3D-RAA96456