CAS 2752-64-9

Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-

Description:

Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, with the CAS number 2752-64-9, is a complex organic compound belonging to the class of alkaloids derived from the Aconitum species. This substance features multiple functional groups, including methoxy and acetate moieties, which contribute to its chemical reactivity and potential biological activity. The presence of multiple hydroxyl groups indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and interaction with biological systems. Aconitane derivatives are often studied for their pharmacological properties, including potential analgesic and anti-inflammatory effects. However, due to the toxicity associated with many Aconitum alkaloids, careful handling and thorough understanding of its biological implications are essential. The structural complexity of this compound suggests that it may have unique stereochemical properties, which could affect its interaction with biological targets. Further research is necessary to fully elucidate its properties and potential applications in medicinal chemistry.

Formula: C₃₃H₄₅NO₁₁

InChI: InChI=1/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25?,26+,27-,28+,30+,31-,32+,33-/m1/s1

InChI key: InChIKey=XUHJBXVYNBQQBD-GQPWXMLZSA-N

SMILES: O(C)[C@@H]1[C@@]23[C@]4([C@](COC)(CN(C)[C@@]2([C@]([C@@H]4OC)([C@]5(OC(C)=O)[C@@]6([C@]3(C[C@@](O)([C@@H]6OC(=O)C7=CC=CC=C7)[C@@H](OC)[C@@H]5O)[H])[H])[H])[H])[C@H](O)C1)[H]

Synonyms:

• (16Beta)-8-(Acetyloxy)-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
• (3Alpha,6Alpha,14Alpha,15Alpha,16Beta)-8-(Acetyloxy)-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
• 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-3,8,13,14,15-pentol deriv.
• 8-(Acetyloxy)-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
• Mesaconitine
• NSC 77210
• Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1α,3α,6α,14α,15α,16β)-
• Japaconitine B
• Mesaconitine Solution, 100ppm
• Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
• Mesaaconitine
• 1α,6α,16β-Trimethoxy-4-methoxymethyl-20-methylaconitane-3α,8,13,14α,15α-pentol 8-acetate 14-benzoate
• MESACONITINE, 98% (PRIMARY STANDARD)
• Mesaconitine, 98%, from Aconitum carmichaeli Debeaux
• MESACONITINE(SH)
• 4-(Methoxymethyl)-20-methyl-1α,6α,16β-trimethoxyaconitane-3α,8,13,14α,15α-pentol 8-acetate 14-benzoate
• (1α,3α,6α,14α,15α,16β)-1,6,16-TriMethoxy-4-(MethoxyMethyl)-20-Methyl-aconitane-3,8,13,14,15-pentol 8-Acetate 14-Benzoate
• MESACONITINE(AS)
• (1a,3a,6a,14a,15a,16β)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate
• N-Desethyl-N-Methylaconitine
• Mesaconitine USP/EP/BP
• (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-8-acetate14-benzoat
• Japaconitine A

Aconitane-3,8,13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate14-benzoate, (1a,3a,6a,14a,15a,16b)-

CAS: 2752-64-9

Formula: C₃₃H₄₅NO₁₁

Purity: 98%

Color and Shape: Solid

Molecular weight: 631.7105

Ref: IN-DA00IKLE

Mesaconitine

CAS: 2752-64-9

Mesaconitine

Purity: ≥95%

Molecular weight: 631.71g/mol

Ref: 54-BUP00186

Mesaconitine

CAS: 2752-64-9

Formula: C₃₃H₄₅NO₁₁

Molecular weight: 631.71

Ref: 7W-GP3472

Mesaconitine

CAS: 2752-64-9

Formula: C₃₃H₄₅NO₁₁

Purity: >95.0%(HPLC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 631.72

Ref: 3B-M3404

Mesaconitine

CAS: 2752-64-9

Mesaconitine increases the [Ca2+]i level in endothelial cells by influx of Ca2+ from extracellular spaces, suggests that mesaconitine-induced Ca2+ influx and activation of nitric-oxide synthase in endothelial cells and, thus, induced vasorelaxation in rat aorta.

Formula: C₃₃H₄₅NO₁₁

Purity: 95%~99%

Color and Shape: White powder

Molecular weight: 631.719

Ref: BP-BP0935

Mesaconitine

CAS: 2752-64-9

Mesaconitine: anti-inflammatory, relieves pain by boosting cAMP and central β-adrenergic system.

Formula: C₃₃H₄₅NO₁₁

Purity: 97.45% - 98.98%

Color and Shape: Solid

Molecular weight: 631.71

Ref: TM-T6S0627

Mesaconitine

CAS: 2752-64-9

Natural alkaloid

Formula: C₃₃H₄₅NO₁₁

Purity: ≥ 90.0 % (HPLC)

Color and Shape: Powder

Molecular weight: 631.72

Ref: 5G-89731

Mesaconitine

Controlled Product

CAS: 2752-64-9

Applications An Aconitine (A189875) analog. Aconitine alkaloid pharmacokinetic analgesic. A highly poisonous, neurotoxic alkaloid.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Li, M., et al.: J. Pharm. Biomed. Anal., 53, 1063 (2010), Yan, G., et al.: J. Pharm. Biomed. Anal., 53, 421 (2010),

Formula: C₃₃H₄₅NO₁₁

Color and Shape: Neat

Molecular weight: 631.71

Ref: TR-M257900

Mesaconitine

CAS: 2752-64-9

Mesaconitine is a highly toxic natural diterpenoid steroid alkaloid found in plants of the Aconitum genre. In 2020, NMR spectroscopy combined with X-ray crystallography have shown an unusual twisted-boat conformation of the mesaconitine molecule.

Formula: C₃₃H₄₅NO₁₁

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 631.71 g/mol

Ref: 3D-FM25110