4678-45-9

Basic information

• Product Name: GRAYANOTOXIN III
• Synonyms: 4,8-tetramethyl-,(2s,3as,4r,4ar,7r,8r,9as,11r,11ar,12r)-1;6,10,14,16-hexol,(3-beta,6-beta,14r)-grayanotoxane-5;andromedol;deacetylandromedotoxin;deacylasebotoxini;GRAYANOTOXIN 3.1/2 ETHYL ACETATE ADDUCT;GRAYANOTOXIN III;GRAYANOTOXIN III HEMI(ETHYL ACETATE) ADDUCT
• CAS NO: 4678-45-9
• Molecular Formula: C20H34O6
• Molecular Weight: 370.48
• Product Categories: Monovalent Ion Channels;Other Sodium Channel Modulators;Sodium Channel Modulators
• Mol File: 4678-45-9.mol
• Article Data: 2

Chemical Properties

• Melting Point: 218 °C (decomp)
• Boiling Point: 552.6°C at 760 mmHg
• Flash Point: 250.9°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 1.63E-14mmHg at 25°C
• Refractive Index: 1.619
• Storage Temp.: 2-8°C
• PKA: 13.79±0.70(Predicted)
• CAS DataBase Reference: GRAYANOTOXIN III(CAS DataBase Reference)
• NIST Chemistry Reference: GRAYANOTOXIN III(4678-45-9)
• EPA Substance Registry System: GRAYANOTOXIN III(4678-45-9)

Safety Data

• Hazard Codes: T
• Statements: 23/24/25-36/38
• Safety Statements: 22-26-36/37/39-45
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 3
• RTECS: PB9190000
• HazardClass: 6.1(a)
• PackingGroup: I
• Hazardous Substances Data: 4678-45-9(Hazardous Substances Data)

Usage

Hazard

A poison

InChI:InChI=1/C20H34O6/c1-16(2)13(21)7-12-18(4,25)11-6-5-10-15(23)19(11,9-17(10,3)24)8-14(22)20(12,16)26/h10-15,21-26H,5-9H2,1-4H3/t10?,11-,12-,13-,14+,15?,17+,18+,19-,20-/m0/s1

Upstream product

• 84893-93-6 Pieristoxin I 
• 4619-00-5 (3aR)-2c,4t,8t,11c,11ac-Pentahydroxy-12anti-acetoxy-1,1,4c,8-tetramethyl-(3arH,4acH)-tetradecahydro-7t,9at-methano-cyclopenta[b]heptalen 
• 160714-33-0 C₃₀H₅₀O₁₁ 
• 1027201-63-3 ((1R,2R,5R,6R,8R)-2-{(R)-1-[(1S,4S)-4-(tert-Butyl-dimethyl-silanyloxy)-3,3-dimethyl-2-oxo-cyclopentyl]-1-methoxymethoxy-ethyl}-6,8-bis-methoxymethoxy-6-methyl-bicyclo[3.2.1]oct-1-yl)-acetaldehyde 
• 1027224-66-3 ((1R,2R,5R,6R,8R)-2-{(R)-1-[(1S,4S)-4-(tert-Butyl-dimethyl-silanyloxy)-3,3-dimethyl-2-oxo-cyclopentyl]-1-hydroxy-ethyl}-6,8-bis-methoxymethoxy-6-methyl-bicyclo[3.2.1]oct-1-yl)-acetaldehyde 
• 160714-31-8 (1R,3S,5S)-3-(tert-Butyl-dimethyl-silanyloxy)-5-{1-[(1S,2S,5R,6R,8R)-1-(2-hydroxy-ethyl)-6,8-bis-methoxymethoxy-6-methyl-bicyclo[3.2.1]oct-2-yl]-vinyl}-2,2-dimethyl-cyclopentanol 
• 136063-28-0 {(1R,2R,5R,6R,8R)-2-[(R)-1-((1S,4S)-4-Hydroxy-3,3-dimethyl-2-oxo-cyclopentyl)-1-methoxymethoxy-ethyl]-6,8-bis-methoxymethoxy-6-methyl-bicyclo[3.2.1]oct-1-yl}-acetaldehyde 
• 160714-32-9 (1R,3S,5R)-3-(tert-Butyl-dimethyl-silanyloxy)-5-{(R)-1-hydroxy-1-[(1S,2R,5R,6R,8R)-1-(2-hydroxy-ethyl)-6,8-bis-methoxymethoxy-6-methyl-bicyclo[3.2.1]oct-2-yl]-ethyl}-2,2-dimethyl-cyclopentanol 
• 136063-30-4 C₂₆H₄₆O₉ 

Downstream Products

• 4678-44-8 Grayanotoxin-II 
• 38776-76-0 Dihydrograyanotoxin II 
• 104459-10-1 iso-grayanotoxin II 

Relevant articles and documents

Total Synthesis of (-)-Grayanotoxin III

Total synthesis of (-)-grayanotoxin III (3), a unique tetracyclic diterpene isolated from the leaves of various plants of the family Ericaceae, has been successfully accomplished featuring the highly stereoselective cyclization reactions induced by SmI2.