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2752-64-9,MFCD00210528
Catalog No.:AA00IKIM

2752-64-9 | Aconitane-3,8,13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate14-benzoate, (1a,3a,6a,14a,15a,16b)-

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analytical standard,≥96%
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20mg
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IKIM
Chemical Name:
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 Number:
2752-64-9
Molecular Formula:
C33H45NO11
Molecular Weight:
631.7105
MDL Number:
MFCD00210528
SMILES:
COCC12CN(C)C3C4(C2C(OC)C3C2(C3C4CC(C3OC(=O)c3ccccc3)(C(C2O)OC)O)OC(=O)C)C(CC1O)OC
Properties
Computed Properties
 
Complexity:
1200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.1  

Literature

Title: The role of efflux transporters on the transport of highly toxic aconitine, mesaconitine, hypaconitine, and their hydrolysates, as determined in cultured Caco-2 and transfected MDCKII cells.

Journal: Toxicology letters 20130204

Title: Identification and determination of Aconitum alkaloids in Aconitum herbs and Xiaohuoluo pill using UPLC-ESI-MS.

Journal: Molecules (Basel, Switzerland) 20120827

Title: [UPLC/Q-TOF-MS-based chemical profiling approach to evaluate the chemical constitution of Radix Aconiti Lateralis Preparata in the process of decoction].

Journal: Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine 20120801

Title: Development and validation of a highly sensitive UPLC-MS/MS method for simultaneous determination of aconitine, mesaconitine, hypaconitine, and five of their metabolites in rat blood and its application to a pharmacokinetics study of aconitine, mesaconitine, and hypaconitine.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20120601

Title: Intestinal transport of pure diester-type alkaloids from an aconite extract across the Caco-2 cell monolayer model.

Journal: Planta medica 20120501

Title: Preparation of Fe3O4 nanoparticle enclosure hydroxylated multi-walled carbon nanotubes for the determination of aconitines in human serum samples.

Journal: Analytica chimica acta 20120429

Title: Regeneratory characteristics of complex extract and isolated diterpene alkaloids of Aconitum baikalense.

Journal: Bulletin of experimental biology and medicine 20120201

Title: [Determination of content changes of three diester-diterpenoid alkaloids in compatibility of radix aconiti laterlis preparata and Rhizoma pinelliae, Fructus trichosanthis, Bulbus fritillariae, Radix ampelopsis, Rhizoma bletillae by HPLC].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111201

Title: [Extraction technology of diester-type alkaloids from Radix Aconiti lateralis].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20111101

Title: Microsomal cytochrome P450-mediated metabolism of hypaconitine, an active and highly toxic constituent derived from Aconitum species.

Journal: Toxicology letters 20110704

Title: CE-electrochemiluminescence with ionic liquid for the facile separation and determination of diester-diterpenoid aconitum alkaloids in traditional Chinese herbal medicine.

Journal: Electrophoresis 20110601

Title: [The effect of the compatibility of Radix Aconiti Laterlis and radix glycyrrhizae on pharmacokinatic of aconitine, mesaconitine and hypacmitine in rat plasma].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20110601

Title: [Isolation and structure identification of C19 diterpenoid alkaloids from Aconitum carmichaeli by high-speed counter-current chromatography].

Journal: Se pu = Chinese journal of chromatography 20110501

Title: Effect of (E)-2-isopropyl-5-methylcyclohexyl octadec-9-enoate on transdermal delivery of Aconitum alkaloids.

Journal: Drug development and industrial pharmacy 20110301

Title: Characterization of metabolites and human P450 isoforms involved in the microsomal metabolism of mesaconitine.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20110101

Title: Determination of aconitine, hypaconitine and mesaconitine in urine using hollow fiber liquid-phase microextraction combined with high-performance liquid chromatography.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20101015

Title: [Analysis of chemical composition in the combination of monkshood and pinellia by UPLC/Q-TOFMS with multivariate statistical analysis].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20101001

Title: [Analysis on the metabolites of mesaconitine in the rat urine by liquid chromatography and electrospray ionization mass spectrometry].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20100801

Title: [Evaluation of the accumulation of dry substance and active componentsevaluation of the accumulation of dry substance and active components of Radix Aconiti Lateralis Praeparata].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20100401

Title: Development and validation of a rapid capillary zone electrophoresis method for the determination of aconite alkaloids in aconite roots.

Journal: Phytochemical analysis : PCA 20100101

Title: Metabolomic analysis of biofluids from rats treated with Aconitum alkaloids using nuclear magnetic resonance and gas chromatography/time-of-flight mass spectrometry.

Journal: Analytical biochemistry 20091215

Title: [Changes of DDAs content affected by different processing time and its relationship with safety of processed Fuzi].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20090501

Title: LC-MS analysis for the components captured by ECV304 cell from extract of Aconitum szechenyianum Gay.

Journal: Biomedical chromatography : BMC 20090401

Title: Development and validation of a high-performance liquid chromatography-tandem mass spectrometry method for the rapid simultaneous quantification of aconitine, mesaconitine, and hypaconitine in rat plasma after oral administration of Sini decoction.

Journal: Journal of analytical toxicology 20090101

Title: Simultaneous quantitation of aconitine, mesaconitine, hypaconitine, benzoylaconine, benzoylmesaconine and benzoylhypaconine in human plasma by liquid chromatography-tandem mass spectrometry and pharmacokinetics evaluation of 'SHEN-FU' injectable powder.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20081001

Title: [Simultaneous determination of aconitine analogues in Aconitum plants and foods that caused food poisoning by liquid chromatography with tandem mass spectrometry].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20080401

Title: Five cases of aconite poisoning: toxicokinetics of aconitines.

Journal: Journal of analytical toxicology 20070401

Title: [Study on separation and purification of total alkaloids and mesaconitine with X - 5 macroporous resin].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20070301

Title: [Determination of three kind of diester diterpenoid alkaloids (DDAs) in Aconitum carmichaeli and its processed products by HPLC].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060701

Title: [Studies on HPLC fingerprint of Radix Aconiti Kusnezoffii].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060701

Title: Sensitive analysis of aconitine, hypaconitine, mesaconitine and jesaconitine in human body fluids and Aconitum tubers by LC/ESI-TOF-MS.

Journal: Journal of mass spectrometry : JMS 20060601

Title: Quantitative determination of diterpenoid alkaloids in four species of Aconitum by HPLC.

Journal: Journal of pharmaceutical and biomedical analysis 20060303

Title: Effects of processed Aconiti tuber and its ingredient alkaloids on the development of antinociceptive tolerance to morphine.

Journal: Journal of ethnopharmacology 20060220

Title: [Percutaneous absorption of aconitine and mesaconitine in extracts of Radix Aconitum kusnezoffii].

Journal: Zhong xi yi jie he xue bao = Journal of Chinese integrative medicine 20060101

Title: Quantification of Aconitum alkaloids in aconite roots by a modified RP-HPLC method.

Journal: Phytochemical analysis : PCA 20050101

Title: Mesaconitine-induced relaxation in rat aorta: role of Na+/Ca2+ exchangers in endothelial cells.

Journal: European journal of pharmacology 20040112

Title: Quantitative determination of Aconitum alkaloids in blood and urine samples by high-performance liquid chromatography.

Journal: Phytochemical analysis : PCA 20040101

Title: Structure identification of five unknown dilipo-alkaloids extracted from processed tuber of Aconitum Carmiechaeli by electrospray ionization tandem mass spectrometry.

Journal: Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20031201

Title: Alkaloidal constituents from Aconitum jaluense.

Journal: Archives of pharmacal research 20030901

Title: [Study on the combination principles about aconite roots by electrospray ionization mass spectrometry].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20030601

Title: [The method for determination of aconitum alkaloids in Radix Aconiti Kusnezoffii].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20021201

Title: Vasorelaxing effect of mesaconitine, an alkaloid from Aconitum japonicum, on rat small gastric artery: possible involvement of endothelium-derived hyperpolarizing factor.

Journal: Japanese journal of pharmacology 20020801

Title: [Determination of aconitine alkaloids in a pesticide--0.25% aconitine alkaloids mixed with emulsion by high performance liquid chromatography].

Journal: Se pu = Chinese journal of chromatography 20020501

Title: Mesaconitine-induced relaxation in rat aorta: involvement of Ca2+ influx and nitric-oxide synthase in the endothelium.

Journal: European journal of pharmacology 20020202

Title: Ogura J, et al. Mesaconitine-induced relaxation in rat aorta: role of Na+/Ca2+ exchangers in endothelial cells. Eur J Pharmacol. 2004 Jan 12;483(2-3):139-46.

Title: Mitamura M, et al. Mesaconitine-induced relaxation in rat aorta: involvement of Ca2+ influx and nitric-oxide synthase in the endothelium. Eur J Pharmacol. 2002 Feb 2;436(3):217-25.

Title: Murayama M, et al. Mechanism of analgesic action of mesaconitine. I. Relationship between analgesic effect and central monoamines or opiate receptors. Eur J Pharmacol. 1984 May 18;101(1-2):29-36.

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Tags:2752-64-9 Molecular Formula|2752-64-9 MDL|2752-64-9 SMILES|2752-64-9 Aconitane-3,8,13,14,15-pentol,1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate14-benzoate, (1a,3a,6a,14a,15a,16b)-