Product Name

  • Name

    lyoniol-A

  • EINECS
  • CAS No. 31136-61-5
  • Density 1.36g/cm3
  • Solubility
  • Melting Point 251.5°C
  • Formula C22H34 O7
  • Boiling Point 544.1°Cat760mmHg
  • Molecular Weight 410.56
  • Flash Point 184.4°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 31136-61-5 (lyoniol-A)
  • Hazard Symbols
  • Synonyms 7,9a-Methano-9aH-cyclopenta[b]heptalene-4,8,10,11,11a(1H)-pentol,2,3-epoxydodecahydro-1,1,4,8-tetramethyl-, 11-acetate,(2R,3S,3aS,4R,4aR,7R,8R,9aR,10S,11R,11aR)- (8CI); Lyoniatoxin (6CI,7CI);5,7a-Methano-7aH-cyclohept[6,7]azuleno[1,2-b]oxirene,grayanotoxane-5,6,7,10,16-pentol deriv.; Lyoniol A
  • PSA 119.75000
  • LogP 0.75550

Lyoniatoxin Chemical Properties

Empirical Formula of Lyoniatoxin (CAS NO.31136-61-5): C22H34O7
Molecular Weight: 410.5012 g/mol
Index of Refraction: 1.603
Density: 1.36 g/cm3
Flash Point: 184.4 °C
Enthalpy of Vaporization: 94.58 kJ/mol
Boiling Point: 544.1 °C at 760 mmHg
Vapour Pressure: 4.17E-14 mmHg at 25 °C
Structure of Lyoniatoxin (CAS NO.31136-61-5):
          
Canonical SMILES: CC(=O)OC1C(C2(C(C3C(C2(C)C)O3)C(C4C15CC(CC4)C(C5)(C)O)(C)O)O)O
Isomeric SMILES: CC(=O)O[C@@H]1[C@H]([C@]2([C@@H]([C@H]3[C@@H](C2(C)C)O3)[C@]([C@H]4[C@]
15C[C@@H](CC4)[C@](C5)(C)O)(C)O)O)O
InChI: InChI=1S/C22H34O7/c1-10(23)28-17-15(24)22(27)14(13-16(29-13)18(22,2)3)20(5,26)12-7-6-11-8-21(12,17)9-19(11,4)25/h11-17,24-27H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16+,17-,19-,20-,21-,22+/m1/s1
InChIKey: IONWCZKSTMAXMV-CRRNJOFASA-N

Lyoniatoxin Toxicity Data With Reference

1.    

ipr-mus LD50:3010 µg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 35 (1976),303.
2.    

ivn-gpg LD50:400 µg/kg

     ARTODN    Archives of Toxicology. 44 (1980),259.

Lyoniatoxin Safety Profile

Poison by intravenous and intraperitoneal routes. When heated to decomposition Lyoniatoxin (CAS NO.31136-61-5) emits acrid smoke and irritating fumes.

Lyoniatoxin Specification

 Lyoniatoxin ,its cas register number is 31136-61-5. It also can be called Grayanotoxane-5,6,7,10,16-pentol, 2,3-epoxy-, 6-acetate, (2-beta,3-beta,6-beta,7-alpha)- ; and Lyoniol-A .

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