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ANISATIN

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ANISATIN Basic information

Product Name:
ANISATIN
Synonyms:
  • (1R,6S)-4,5,6a,7,8,9,9a-Heptahydro-1,5α,6aα,7α-tetrahydroxy-5,9β-dimethylspiro[6H-4α,9aα-methanocyclopenta[d]oxocin-6,3'-oxetane]-2,2'(1H)-dione
  • (1R,6S)-4,5,6a,7,8,9-Hexahydro-1,5α,6aα,7α-tetrahydroxy-5,9β-dimethylspiro[6H-4α,9aα-methanocyclopenta[d]oxocin-6,3'-oxetane]-2,2'(1H)-dione
  • Fruit of illicium anisatum L.
  • ANISATIN(RG)
  • ANISATIN
  • Spiro[4H-4,9a-methanocyclopent[d]oxocin-6(2H),3'-oxetane]-2,2'-dione, hexahydro-1,5,6a,7-tetrahydroxy-5,9-dimethyl-, (1R,3'S,4R,5R,6aR,7R,9R,9aS)-
CAS:
5230-87-5
MF:
C15H20O8
MW:
328.31
Mol File:
5230-87-5.mol
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ANISATIN Chemical Properties

Melting point:
227-228℃
Boiling point:
609.5±55.0 °C(Predicted)
Density 
1.63±0.1 g/cm3 (20 ºC 760 Torr)
storage temp. 
-20°C
pka
12.01±0.70(Predicted)
form 
Solid
color 
White to off-white
Major Application
food and beverages
InChI
1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1
InChIKey
GEVWHIDSUOMVRI-QWNPAUMXSA-N
SMILES
O1[C@H]2[C@@]([C@]3([C@@]4([C@@]([C@@H](C[C@H]4O)C)([C@H](C1=O)O)C2)O)COC3=O)(O)C
LogP
-0.930 (est)
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Safety Information

Hazard Codes 
T+
Risk Statements 
26/28
Safety Statements 
26-36/37/39-45
RIDADR 
UN 2811 6.1 / PGII
WGK Germany 
3
RTECS 
WH1314700
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
Toxicity
LDLo orl-mus: 1 mg/kg CPBTAL 44,1908,1996
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ANISATIN Usage And Synthesis

Uses

food and beverages

Hazard

Moderately toxic by ingestion.

Safety Profile

A poison by intraperitoneal route.Moderately toxic by ingestion. When heated todecomposition it emits acrid smoke and irritating vapors.

Synthesis

150 g of red fennel fruit was defatted with petroleum ether and extracted with methanol, the extract was concentrated to remove methanol, the residue was dissolved in water and extracted with ethyl acetate, the extract was chromatographed on a silica gel column several times and eluted with chloroform-methanol ( 97:3, V/V), resulting in colorless needle crystals ( 30 mg).

in vivo

In mice, the LD50 reported for anisatin ranges from 0.76 to 1?mg/kg (po and ip)[1].

ANISATINSupplier

BOC Sciences
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1-631-485-4226; 16314854226
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028-81700200 18116577057
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18607101326 15172504745
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EMMX Biotechnology LLC
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888-539-0666
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info@emmx.com
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