Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Yunaconitine
RN: 70578-24-4
InChIKey: LLEMSCWAKNQHHA-UHFFFAOYSA-N

Note

  • Alkaloid found in folk medicine caowu.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C35-H49-N-O11

Molecular Weight

  • 659.768
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Yunaconitine

Synonyms

  • 3-alpha,13-Dihydroxyforesaconitine
  • Guayewuanine B
  • Isoaconitine (6CI)
  • Yunaconitine

Systematic Names

  • 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)-
  • Vilmorrianine B (7CI)

Registry Numbers

CAS Registry Number

  • 70578-24-4

System Generated Number

  • 0070578244

Structure Descriptors

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

InChIKey

LLEMSCWAKNQHHA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 30ug/kg (0.03mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 intraperitoneal 585ug/kg (0.585mg/kg)   Drugs of the Future. Vol. 14, Pg. 872, 1989.
mouse LD50 intravenous 50ug/kg (0.05mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
mouse LD50 subcutaneous 260ug/kg (0.26mg/kg)   Journal of Ethnopharmacology. Vol. 4, Pg. 247, 1981.
rat LDLo intravenous 50ug/kg (0.05mg/kg)   Drugs of the Future. Vol. 14, Pg. 872, 1989.