Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-

Modify Date: 2024-01-09 20:05:03

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure
Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- structure
 Common Name Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-
CAS Number 4678-45-9 Molecular Weight 370.48000
Density 1.36g/cm3 Boiling Point 552.6ºC at 760 mmHg
Molecular Formula C20H34O6 Melting Point N/A
MSDS N/A Flash Point 250.9ºC

 Names

Name Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 552.6ºC at 760 mmHg
Molecular Formula C20H34O6
Molecular Weight 370.48000
Flash Point 250.9ºC
Exact Mass 370.23600
PSA 121.38000
LogP 0.16830
Index of Refraction 1.619

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PB9190000
CHEMICAL NAME :
7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a, 12(1H)-hexol, dodecahydro-1,1,4,8- tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-
CAS REGISTRY NUMBER :
4678-45-9
LAST UPDATED :
199806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H34-O6
MOLECULAR WEIGHT :
370.54
WISWESSER LINE NOTATION :
L E5 B765 A 1B P BXTJ AQ DQ EQ F1 F1 GQ JQ J1 OQ O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
840 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - ataxia Behavioral - muscle contraction or spasticity
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 35,303,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
400 ug/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 44,259,1980

 Safety Information

Hazard Codes T
Risk Phrases 23/24/25-36/38
Safety Phrases S22;S26;S45;S36/S37/S39
RIDADR UN 2811 6.1/PG 3
Hazard Class 6.1(a)

 Synthetic Route

(2S,3aR,4R,4aR,7R,8R,9aS,11R,11aR,12R)-4,8,12-tris(methoxymethoxy)-1,1,4,8-tetramethyltetradecahydro-7,9a-methanocyclopenta[b]heptalene-2,11,11a-triol structure

(2S,3aR,4R,4aR,...

CAS#:136063-30-4

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
(1R,3S,5R)-3-((tert-butyldimethylsilyl)oxy)-5-((R)-1-hydroxy-1-((1S,2R,5R,6R,8R)-1-(2-hydroxyethyl)-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octan-2-yl)ethyl)-2,2-dimethylcyclopentanol structure

(1R,3S,5R)-3-((...

CAS#:160714-32-9

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
2-((1R,2R,5R,6R,8R)-2-((R)-1-((1S,4S)-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl)-1-(methoxymethoxy)ethyl)-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octan-1-yl)acetaldehyde structure

2-((1R,2R,5R,6R...

CAS#:136063-28-0

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
(1R,3S,5S)-3-((tert-butyldimethylsilyl)oxy)-5-(1-((1S,2S,5R,6R,8R)-1-(2-hydroxyethyl)-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octan-2-yl)vinyl)-2,2-dimethylcyclopentan-1-ol structure

(1R,3S,5S)-3-((...

CAS#:160714-31-8

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
2-((1R,2R,5R,6R,8R)-2-((R)-1-((1S,4S)-4-((tert-butyldimethylsilyl)oxy)-3,3-dimethyl-2-oxocyclopentyl)-1-hydroxyethyl)-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octan-1-yl)acetaldehyde structure

2-((1R,2R,5R,6R...

CAS#:1027224-66-3

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
2-((1R,2R,5R,6R,8R)-2-((R)-1-((1S,4S)-4-((tert-butyldimethylsilyl)oxy)-3,3-dimethyl-2-oxocyclopentyl)-1-(methoxymethoxy)ethyl)-6,8-bis(methoxymethoxy)-6-methylbicyclo[3.2.1]octan-1-yl)acetaldehyde structure

2-((1R,2R,5R,6R...

CAS#:1027201-63-3

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534
(2S,3aR,4R,4aR,7R,8R,9aS,11R,11aR,12R)-11a-hydroxy-4,8,12-tris(methoxymethoxy)-1,1,4,8-tetramethyltetradecahydro-7,9a-methanocyclopenta[b]heptalene-2,11-diyl diacetate structure

(2S,3aR,4R,4aR,...

CAS#:160714-33-0

~%

Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)- Structure

Grayanotoxane-3...

CAS#:4678-45-9

Literature: Kan, Toshiyuki; Hosokawa, Seijiro; Nara, Shinji; Oikawa, Masato; Ito, Shinya; et al. Journal of Organic Chemistry, 1994 , vol. 59, # 19 p. 5532 - 5534

 Synonyms

deacylasebotoxini
andromedol
GRAYANOTOXIN 3.1/2 ETHYL ACETATE ADDUCT
deacetylandromedotoxin
MFCD00285883
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Related Compounds: More...
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Chemsrc provides CAS#:4678-45-9 MSDS, density, melting point, boiling point, structure, etc. Its name is Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)->> amp version: Grayanotoxane-3,5,6,10,14,16-hexol,(3b,6b,14R)-

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