Yunaconitine | CAS#70578-24-4 | Diterpenoid alkaloid

MedKoo Cat#: 341275 | Name: Yunaconitine

Featured

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Yunaconitine is a diterpenoid alkaloid that has been found in A. vilmorinianum and has diverse biological activities. It is active against E. coli and B. subtilis (MICs = 32 and 8 µg/ml, respectively). Yunaconitine acts as a metal chelator, inhibiting ferrozine-Fe2+ complex formation with an IC50 value of 11.6 µg/ml. It has feeding deterrent activity against red flour beetle (T. castaneum) adults (EC50 = 653.4 ppm). Yunaconitine has been found in the urine of patients with aconite poisoning.

Chemical Structure

Yunaconitine

CAS#70578-24-4

Theoretical Analysis

MedKoo Cat#: 341275

Name: Yunaconitine

CAS#: 70578-24-4

Chemical Formula: C35H49NO11

Exact Mass: 659.3306

Molecular Weight: 659.77

Elemental Analysis: C, 63.72; H, 7.49; N, 2.12; O, 26.67

Price and Availability

Size	Price	Availability
1mg	USD 350.00	2 Weeks
5mg	USD 750.00	2 Weeks
10mg	USD 1,250.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

No Data

Synonym

Yunaconitine; Guayewuanine B; Guayewuanine-B; Yunnaconitine;

IUPAC/Chemical Name

Aconitane-3,8,13,14-tetrol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 8-acetate 14-(4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,16-beta)-

InChi Key

LLEMSCWAKNQHHA-ZQSYNORFSA-N

InChi Code

InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24-,25-,26-,27-,28+,29-,30-,32-,33+,34+,35-/m1/s1

SMILES Code

c1(ccc(cc1)OC)C(O[C@@H]1[C@@H]2[C@@]3([C@@H]4[C@@H](OC)[C@@H]5[C@@]6([C@@H]2C[C@@]1([C@@H](C3)OC)O)[C@@H]4[N@@](CC)C[C@@]5(COC)[C@@H](C[C@@H]6OC)O)OC(C)=O)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	DMSO	1.0	1.52
	DMF	1.0	1.52
	DMSO:PBS (pH 7.2) (1:4)	0.2	0.30

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 659.77 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Jiang Z, Zhuang Y, Hu X, Chen W, Xia F, Hu X, Yang A, Tao W. Application of Veno-Arterial ECMO Combined With Hemoperfusion in the Treatment of a Patient With Yunaconitine Poisoning: A Case Report. Ann Noninvasive Electrocardiol. 2025 Mar;30(2):e70051. doi: 10.1111/anec.70051. PMID: 39916662; PMCID: PMC11803268. 2: Lin B, Zhang J, Chen M, Gao X, Wen J, Tian K, Wu Y, Chen Z, Yang Q, Zhu A, Du C. Comprehensive Profiling of Transcriptome and m6A Epitranscriptome Uncovers the Neurotoxic Effects of Yunaconitine on HT22 Cells. Evol Bioinform Online. 2024 Oct 12;20:11769343241290461. doi: 10.1177/11769343241290461. PMID: 39483791; PMCID: PMC11526304. 3: Wang X, Li GD, Wang BJ, Xu FR, Ma XH. [Cloning and functional verification of farnesyl pyrophosphate synthase gene(AvFPS) from Aconitum vilmorinianum]. Zhongguo Zhong Yao Za Zhi. 2024 Aug;49(16):4387-4395. Chinese. doi: 10.19540/j.cnki.cjcmm.20240517.103. PMID: 39307775. 4: Li X, Liang Q, Wang C, Qiu H, Lin T, Li W, Zhang R, Liu Z, Zhu L. Role of P-glycoprotein in Regulating the Efficacy, Toxicity and Pharmacokinetics of Yunaconitine. Curr Drug Metab. 2024;25(5):317-329. doi: 10.2174/0113892002302427240801072910. PMID: 39108114. 5: Li X, Fu Y, Qiu H, Xu X, Lin T, Hou W, Chen W, Zhang R, Liu Z, Zhu L. Clinical poisoning events involving yunaconitine may be highly correlated with metabolism-based interactions: A critical role of CYP3A4. Food Chem Toxicol. 2023 Sep;179:113989. doi: 10.1016/j.fct.2023.113989. Epub 2023 Aug 22. PMID: 37619830. 6: Pei WH, Huang YF, Xie Y, Qu Y, He F, Zhou H. The Metabolic Pathways and Products of Ten Aconitum Alkaloids in Sanwujiao Pills from Eight Organs of Mice by UHPLC-Q-TOF-MS/MS. Curr Drug Metab. 2023;24(4):290-302. doi: 10.2174/1389200224666230505122353. PMID: 37151055. 7: 范先煜, 王鑫, 向平, 刘伟, 赵君博. [Identification of Yunaconitine in Poisoning Case： A Case Report]. Fa Yi Xue Za Zhi. 2022 Oct 25;38(5):693-696. Chinese. doi: 10.12116/j.issn.1004-5619.2021.311101. PMID: 36727196. 8: Yao LL, Zhang SQ, Guo C, Li BX, Yang HJ, Yin TP, Cai L. A new C19-diterpenoid alkaloid in Aconitum georgei Comber. Nat Prod Res. 2024 Jan-Feb;38(1):85-90. doi: 10.1080/14786419.2022.2104276. Epub 2022 Aug 1. PMID: 35913407. 9: Zhou HX, Liu H, Han X, Nie SJ, Zhang RP, Yu JY, Li SH. Application of UPLC- QTOF-MS in Analysis of Non-targeted Urine Metabolomics in Rats with Yunaconitine Poisoning. Fa Yi Xue Za Zhi. 2021 Oct 25;37(5):653-660. English, Chinese. doi: 10.12116/j.issn.1004-5619.2020.301003. PMID: 35187917. 10: Huang YF, He F, Cui H, Zhang YY, Yang HY, Liang ZS, Dai W, Cheng CS, Xie Y, Liu L, Liu ZQ, Zhou H. Systematic investigation on the distribution of four hidden toxic Aconitum alkaloids in commonly used Aconitum herbs and their acute toxicity. J Pharm Biomed Anal. 2022 Jan 20;208:114471. doi: 10.1016/j.jpba.2021.114471. Epub 2021 Nov 16. PMID: 34814080. 11: Xie CY, Huang S, Chen L, Gao F, Zhou XL. [Diterpenoid alkaloids from roots of Aconitum kongboense]. Zhongguo Zhong Yao Za Zhi. 2021 Sep;46(17):4424-4432. Chinese. doi: 10.19540/j.cnki.cjcmm.20210622.201. PMID: 34581046. 12: Yu X, Liu H, Xu X, Hu Y, Wang X, Wen C. Pharmacokinetics of yunaconitine and indaconitine in mouse blood by UPLC-MS/MS. J Chromatogr B Analyt Technol Biomed Life Sci. 2021 Aug 1;1179:122840. doi: 10.1016/j.jchromb.2021.122840. Epub 2021 Jun 19. PMID: 34225245. 13: Ma J, Wang X. Development of a simple and rapid UPLC-MS/MS method for determination of 8-deacetyl-yunaconitine in rat plasma and its application to pharmacokinetics. J Pharm Biomed Anal. 2021 Feb 20;195:113894. doi: 10.1016/j.jpba.2021.113894. Epub 2021 Jan 8. PMID: 33453568. 14: Zhang RP, Lin YJ, Yu HF, Chen SY, Zhou J. Partial Synthesis of Crassicauline A from Yunaconitine. Nat Prod Bioprospect. 2020 Apr;10(2):105-108. doi: 10.1007/s13659-020-00238-0. Epub 2020 Apr 15. PMID: 32297141; PMCID: PMC7176785. 15: Chen R, Ning Z, Zheng C, Yang Y, Zhang C, Ou X, Chen K, Yu H, Wei X, Zhao Q, He J. Simultaneous determination of 16 alkaloids in blood by ultrahigh- performance liquid chromatography-tandem mass spectrometry coupled with supported liquid extraction. J Chromatogr B Analyt Technol Biomed Life Sci. 2019 Oct 1;1128:121789. doi: 10.1016/j.jchromb.2019.121789. Epub 2019 Sep 9. PMID: 31525720. 16: He F, Wang CJ, Xie Y, Cheng CS, Liu ZQ, Liu L, Zhou H. Simultaneous quantification of nine aconitum alkaloids in Aconiti Lateralis Radix Praeparata and related products using UHPLC-QQQ-MS/MS. Sci Rep. 2017 Oct 12;7(1):13023. doi: 10.1038/s41598-017-13499-6. PMID: 29026200; PMCID: PMC5638814. 17: Fan X, Yin SS, Li XJ, Yang K, Xu L, Lan K. Hydroxylation Metabolisms of Crassicauline A in Rats Under Toxic Dose. Eur J Drug Metab Pharmacokinet. 2017 Oct;42(5):857-869. doi: 10.1007/s13318-017-0408-z. PMID: 28276004. 18: Guo ZJ, Yang ZY, Tan WH, Zhou ZH, Ma XX. [Chemical Constituents from Processed Products of Aconitum Vilmoriniani Radix]. Zhong Yao Cai. 2015 May;38(5):988-91. Chinese. PMID: 26767293. 19: Chan TY. Aconitum Alkaloid Poisoning Because of Contamination of Herbs by Aconite Roots. Phytother Res. 2016 Jan;30(1):3-8. doi: 10.1002/ptr.5495. Epub 2015 Oct 19. PMID: 26481590. 20: Zhou LS, Wang YJ, Du LL, Tan E, Zeweng YZ, Jiangyong SL, Zhang Y. [Stud on quality standard for Aconiti Tatsienensis Radix]. Zhong Yao Cai. 2014 Jun;37(6):977-80. Chinese. PMID: 25470962.