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3-Deoxyaconitine

$87

  • Brand : BIOFRON

  • Catalogue Number : AV-H20043

  • Specification : 98%

  • CAS number : 3175-95-9

  • Formula : C34H47NO10

  • Molecular Weight : 629.74

  • PUBCHEM ID : 21598997

  • Volume : 20mg

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Catalogue Number

AV-H20043

Analysis Method

HPLC,NMR,MS

Specification

98%

Storage

-20℃

Molecular Weight

629.74

Appearance

White crystal

Botanical Source

Aconitum carmichaeli Debx./Alkaloid from numerous Aconitum spp. (Ranunculaceae); contaminant in crude aconitine

Structure Type

Alkaloids

Category

Standards;Natural Pytochemical;API

SMILES

CCN1CC2(CCC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC(=O)C)OC)OC)COC

Synonyms

Aconitine,deoxy/(1α,6α,14α,15α,16β)-8-Acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate/deoxyaconitine/Aconitane-8,13,14,15-tetrol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1α,6α,14α,15α,16β)-

IUPAC Name

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Applications

3-Deoxyaconitine is a diterpenoid alkaloid, isolated from Aconitum Carmichaeli Debx.[1].

Density

1.3±0.1 g/cm3

Solubility

Methanol

Flash Point

365.4±31.5 °C

Boiling Point

680.6±55.0 °C at 760 mmHg

Melting Point

InChl

InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1

InChl Key

PHASMOUKYDUAOZ-IXLJIIPOSA-N

WGK Germany

RID/ADR

HS Code Reference

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:3175-95-9) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

22375424

Abstract

In the present study, an ultra performance liquid chromatography coupled with time-of-fight mass spectrometry (UPLC-TOF/MS) based chemical profiling approach was used to evaluate chemical constitution between co-decoction and mixed decoction of ginseng and Radix Aconiti Praeparata. Two different kinds of decoctions, namely co-decoction of ginseng and Radix Aconiti Praeparata: water extract of mixed two herbs, and mixed decoction of ginseng and Radix Aconiti Praeparata: mixed water extract of each individual herbs, were prepared. Batches of these two kinds of decoction samples were subjected to UPLC-TOF/MS analysis. The datasets of t(R) m/z pairs, ion intensities and sample codes were processed with supervised partial least squared discriminant analysis (OPLS-DA) to holistically compare the difference between these two decoction samples. Significant difference between the two decoction samples was showed in the results of positive ion mode. The contents of hypaconitine and deoxyaconitine decreased, while that of benzoylmesaconine, benzoylhypaconine and dehydrated benzoylmesaconine increased in the samples of co-decoction of ginseng and Radix Aconiti Praeparata. The content of diester-diterpenoid alkaloids decreased, while that of monoester-diterpenoid alkaloids increased, which is probably the basis of toxicity-attenuated action when combined ginseng with Radix Aconiti Praeparata.

Title

[UPLC-TOF/MS based chemical profiling approach to evaluate toxicity-attenuated chemical composition in combination of ginseng and radix aconiti praeparata].

Author

Ma ZC1, Zhou SS, Liang QD, Huo C, Wang YG, Tan HL, Xiao CR, Gao Y.

Publish date

2011 Dec

PMID

20506817

Abstract

OBJECTIVE:
To study the processing principles of different processed products of Aconitum pendulum.

METHOD:
Using high performance liquid chromatography and acute toxicity test to compare the changes in chemical composition and toxicity of the roots and processed products of A. pendulum.

RESULT:
The main toxic components of the roots of A. pendulum were aconitine, deoxyaconitine and 3-acetylaconitine. The contents of these three alkaloids were significantly reduced in processed products, while benzoylaconitine significantly increased. In addition, processed products emerged aconine, polyschistine-D, beyzoyldeoxyaconine, 16-epi-pyroaconitine and 16-epi-pyrodeoxyaconitine. From the structural analysis, these new emerged compounds transformed from the aconitine, deoxyaconitine and 3-acetylaconitine.

CONCLUSION:
Different processing methods can reduce the toxicity of the roots of A. pendulum. Processing principle is ester hydrolysis and high-temperature pyrolysis.

Title

[Study on processing principle of Aconitum pendulum].

Author

Wang Y1, Zhang J, Tian H, Zeng C, Yao Z, Zhang Y.

Publish date

2010 Mar

PMID

16181762

Abstract

A high performance liquid chromatography (HPLC) method has been developed for the determination of five principal alkaloids (benzoylmesaconine, mesaconitine, aconitine, hypaconitine and deoxyaconitine) found in four species of genus Aconitum. The five alkaloids were analyzed simultaneously with an XTerraRP18 column by gradient elution using 0.03 M ammonium hydrogen carbonate-acetonitrile as mobile phase. The recovery of the method was 94.6-101.9%, and all the alkaloids showed good linearity (gamma = 0.9999) in a relatively wide concentration range. The results indicated that contents of alkaloids in Aconitum varied significantly from species to species; hence quality control of Aconitum drugs is very necessary.

Title

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

Author

Wang Z1, Wen J, Xing J, He Y.

Publish date

2006 Mar 3