CAS 117241-62-0

6,11-Dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid

Description:

6,11-Dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid, with the CAS number 117241-62-0, is a complex organic compound characterized by its naphthalene-derived structure, which features multiple functional groups including hydroxyl (-OH), methoxy (-OCH3), and carboxylic acid (-COOH) groups. This compound exhibits properties typical of polyhydroxylated naphthalene derivatives, such as potential solubility in polar solvents and the ability to participate in hydrogen bonding due to its hydroxyl groups. The presence of dioxo groups suggests it may have significant reactivity, particularly in redox reactions. Its structural features may confer biological activity, making it of interest in medicinal chemistry and pharmacology. Additionally, the methoxy group can influence the compound's lipophilicity and overall biological interactions. Overall, this compound's unique structure and functional groups contribute to its potential applications in various chemical and biological contexts.

Formula: C₂₁H₁₄O₈

InChI: InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)

InChI key: InChIKey=NSKLWYCTXNPUBB-UHFFFAOYSA-N

SMILES: O=C1C=2C(=C(O)C=3C(C2)=CC(O)=C(C(O)=O)C3C)C(=O)C=4C1=CC(OC)=CC4O

Synonyms:

• Tcm B 3
• 6,11-Dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-2-naphthacenecarboxylic acid
• Tetracenomycin B3
• 2-Naphthacenecarboxylic acid, 6,11-dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-

2-Naphthacenecarboxylic acid, 6,11-dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-

CAS: 117241-62-0

Formula: C₂₁H₁₄O₈

Molecular weight: 394.3311

Ref: IN-DA000DZP