CAS 53729-52-5

Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate

Description:

The chemical substance known as Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate, with the CAS number 53729-52-5, is a complex organic compound characterized by its intricate structure, which includes multiple functional groups such as esters, hydroxyls, and an epoxy group. This compound is derived from natural sources and is often studied for its potential biological activities, including anti-inflammatory and anticancer properties. Its molecular structure suggests a significant degree of stereochemistry, which can influence its reactivity and interaction with biological systems. The presence of the acetyloxy group indicates potential for esterification reactions, while the epoxy and hydroxyl groups may participate in various chemical transformations. Overall, this compound exemplifies the diversity of natural products and their potential applications in pharmaceuticals and biochemistry.

Formula: C₃₀H₃₈O₁₃

InChI: InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1

InChI key: InChIKey=SREUSBYRKOPNJK-AJPRWBMOSA-N

SMILES: C(OC)(=O)[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC(/C=C(/C(OC(C)=O)(C)C)\C)=O)[H])(C(C)=C(O)C(=O)C5)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Synonyms:

• Bruceantinol
• Methyl (11β,12α,15β)-15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
• Picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
• Picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
• Picras-3-en-21-oic acid, 15-[[4-(acetyloxy)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, [11β,12α,15β(E)]-
• methyl (11beta,12alpha,15beta)-15-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
• picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-

Picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-

CAS: 53729-52-5

Formula: C₃₀H₃₈O₁₃

Purity: 97%

Molecular weight: 606.6149

Ref: IN-DA01QUVC

Bruceantinol

CAS: 53729-52-5

Bruceantinol

Purity: ≥95%

Molecular weight: 606.61g/mol

Ref: 54-BUP07333

Bruceantinol

CAS: 53729-52-5

Formula: C₃₀H₃₈O₁₃

Purity: 95%~99%

Molecular weight: 606.621

Ref: BP-BP4926

Bruceantinol

CAS: 53729-52-5

Bruceantinol has antiviral activity, it can inhibit pepper mottle virus in pepper; it shows antibabesial activity against Babesia gibsoni in vitro, with the

Formula: C₃₀H₃₈O₁₃

Purity: 97.61% - 99.52%

Color and Shape: Solid

Molecular weight: 606.61

Ref: TM-TN1453

Bruceantinol

CAS: 53729-52-5

Bruceantinol is a phytochemical compound derived from the plant Brucea javanica, which belongs to the Simaroubaceae family. It is an active natural product, primarily sourced from the seeds and fruits of this plant. Bruceantinol exhibits its biological activity through modulation of specific molecular pathways, including the inhibition of DNA synthesis and interference with the cell cycle, leading to apoptosis in certain cancer cell lines.

Formula: C₃₀H₃₈O₁₃

Purity: Min. 95%

Molecular weight: 606.6 g/mol

Ref: 3D-DCA72952