Product Name

  • Name

    HELENALIN

  • EINECS
  • CAS No. 6754-13-8
  • Article Data7
  • CAS DataBase
  • Density 1.25g/cm3
  • Solubility
  • Melting Point 167-168oC
  • Formula C15H18 O4
  • Boiling Point 473°C at 760 mmHg
  • Molecular Weight 262.306
  • Flash Point 179.9°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. Mutation data reported. Human Toxicity (Merck): Intensely poisonous, capable of causing paralysis of voluntary and cardiac musculature and fatal gastroenteritis. When heated to decomposition it emits toxic fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 6754-13-8 (HELENALIN)
  • Hazard Symbols
  • Synonyms Ambrosa-2,11(13)-dien-12-oicacid, 6a,8b-dihydroxy-4-oxo-, 12,8-lactone (8CI);Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3aS-(3aa,4a,4ab,7aa,8a,9aa)]-; Helenalin (6CI,7CI); (-)-Helenalin; Helenalin A; NSC 85236
  • PSA 63.60000
  • LogP 1.24630

Helenalin Chemical Properties

IUPAC Name: (3aR,5R,5aR,8aR,9S,9aS)-9-Hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione
CAS: 6754-13-8
Product Categories: Miscellaneous Natural Products .
Following is the Molecular Structure of Helenalin (6754-13-8):

SMILES: O=C/2O[C@@H]3C[C@H]([C@@H]1/C=C\C(=O)[C@@]1(C)[C@@H](O)[C@@H]3C\2=C)C
InChI: InChI=1/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
InChIKey: ZVLOPMNVFLSSAA-XEPQRQSNBI
Std. InChI: InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
Std. InChIKey: ZVLOPMNVFLSSAA-XEPQRQSNSA-N
Molecular Formula: C15H18O4
Molecular Weight: 262.3
Melting Point:
Boiling Point: 473℃ at 760mmHg
Flash Point: 179.9℃
Molar Volume: 209.3cm3
Density: 1.25g/cm3
ndex of Refraction: 1.565
Molar Refractivity: 68.22cm3
Surface Tension: 47.3dyne/cm
Polarizability: 27.04 10-24cm3
Enthalpy of Vaporization: 84.86kJ/mol
Vapour Pressure: 6.18E-11mmHg at 25℃

Helenalin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LD50 oral 100mg/kg (100mg/kg)   Pharmazie in Unserer Zeit. Vol. 10, Pg. 1, 1981.
hamster LD50 oral 85mg/kg (85mg/kg)   Pharmazie in Unserer Zeit. Vol. 10, Pg. 1, 1981.
mouse LD50 intraperitoneal 10mg/kg (10mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: PERITONITIS		 Research Communications in Chemical Pathology and Pharmacology. Vol. 28, Pg. 189, 1980.
mouse LD50 oral 150mg/kg (150mg/kg)   American Journal of Veterinary Research. Vol. 37, Pg. 859, 1976.
rabbit LD50 oral 90mg/kg (90mg/kg)   Pharmazie in Unserer Zeit. Vol. 10, Pg. 1, 1981.
rat LD50 oral 125mg/kg (125mg/kg)   Pharmazie in Unserer Zeit. Vol. 10, Pg. 1, 1981.

Helenalin Consensus Reports

EPA Genetic Toxicology Program.

Helenalin Safety Profile

RIDADR:2811
HazardClass: 6.1(b)
PackingGroup: III
Poison by ingestion and intraperitoneal routes. Mutation data reported. Human Toxicity (Merck): Intensely poisonous, capable of causing paralysis of voluntary and cardiac musculature and fatal gastroenteritis.

Helenalin Specification

 Helenalin (6754-13-8) also can be called for Helenalin ; (3as-(3Aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-Ethyl-3-methylene ; [3as]-3,3Aalpha,4alpha,4a,7Aalpha,8,9,9Aalpha-Octahydro-4-hydroxy-4abeta,8alph ; 6alpha,8beta-Dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oicacid12,8-lactone ; A-Dimethyl-3-methyleneazuleno[6,5-b]-furan-2,5-dione ; Ambrosa-2,11(13)-dien-12-oicacid,6-alpha,8-beta-dihydroxy-4-oxo-,12,8-lacton ; Ambrosa-2,11(13)-dien-12-oicacid,6alpha,8beta-dihydroxy-4-oxo-,12,8-lactone ; Azuleno(6,5-b)furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dim . Helenalin (6754-13-8) is a Sesquiterpene lactone with potent anti-inflammatory and antitumor effects found in Arnica montana and Arnica chamissonis foliosa. It is the main compound responsible for the therapeutic effects of Arnica.When Helenalin (6754-13-8) was heated,it emits toxic fumes.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View