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115566-02-4

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Basic Information
CAS No.: 115566-02-4
Name: bistratene A
Article Data: 6
Molecular Structure:
Molecular Structure of 115566-02-4 (bistratene A)
Formula: C40H68 N2 O8
Molecular Weight: 704.989
Synonyms: 2H-Pyran-2-acetamide,tetrahydro-N-[(2R,3S)-2-hydroxy-4-[[3-[(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-hydroxy-3,5-dimethyl-4-heptenyl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl]-3-methyl-6-[(3E)-2-oxo-3-pentenyl]-,(2S,3S,6R)- (9CI); Bistramide A; Bistratene A
Density: 1.0675 (rough estimate)
Boiling Point: 705.5°C (rough estimate)
Hazard Symbols:
Risk Codes: 23/24/25
Safety: A poison by intracerebral and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
PSA: 150.40000
LogP: 7.60960
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Chemistry

 Bistratene A ,its CAS register number is 115566-02-4,it's called for Bis A, Bistramide A, Tetrahydro-N-[2-hydroxy-4-[[3-[8-(6-hydroxy-3,5-dimethyl-4-heptenyl)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]propyl]amino]-3-methyl-4-oxobutyl]-3-methyl-6-(2-oxo-3-pentenyl)-2H-pyran-2-acetamide ; 2H-Pyran-2-acetamide, tetrahydro-N-(2-hydroxy-4-((3-(8-(6-hydroxy-3,5-dimethyl-4-heptenyl)-3-methyl-1,7-dioxaspiro(5.5)undec-2-yl)propyl)amino)-3-methyl-4-oxobutyl)-3-methyl-6-(2-oxo-3-pentenyl)- ; CID6048582 ; LS-44749 ; 2,17,28-Trioxa-13,26-diazatricyclo(14.7.4.16,9)octacosane-14,25-dione, 6-hydroxy-18-(6-hydroxy-3,5-dimethyl-4-heptenyl)-8,15,23-trimethyl-3-(2-oxo-3-pentenyl)- ,and so on.

IUPAC Name: 3-Hydroxy-N-[3-[8-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-2-methyl-4-[[2-[3-methyl-6-[(Z)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanamide
CAS: 115566-02-4
M olecular Formula: C40H68N2O8
Molecular Weight:  704.9765
Molecular structure:
Storage temp.:  −20°C
ACD/LogD (pH 5.5): 3.52 
ACD/LogD (pH 7.4): 3.52 
ACD/BCF (pH 5.5): 279.86 
ACD/BCF (pH 7.4): 279.86 
ACD/KOC (pH 5.5): 1963.94 
ACD/KOC (pH 7.4): 1963.94 
H bond acceptors: 10 
H bond donors: 4 
Freely Rotating Bonds: 20 
Index of Refraction: 1.532 
Molar Refractivity: 196.46 cm3 
Molar Volume: 633.9 cm3 
Polarizability: 77.88 10-24cm3 
Surface Tension: 46.8 dyne/cm 
Density: 1.11 g/cm3 
Flash Point: 483.4 °C 
Enthalpy of Vaporization: 144.59 kJ/mol 
Boiling Point: 875.7 °C at 760 mmHg 
Vapour Pressure: 0 mmHg at 25°C 

Uses

 Bistratene A (CAS No.115566-02-4) is commonly used as oragnic reagent.

Toxicity Data With Reference

1.    

ice-rat LDLo:1 mg/kg

     TOXIA6    Toxicon. 26 (1988),1129.
2.    

ipr-mus LD50:1500 µg/kg

     TOXIA6    Toxicon. 26 (1988),1129.

RTECS:  EB8000000

Safety Profile

 Bistratene A (CAS No.115566-02-4) is poisonous by intracerebral and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.

Hazard Codes:  T
Risk Statements:  23/24/25 (R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.)
Safety Statements:  22-36/37-45 (S22:Do not breathe dust. S36/37:Wear suitable protective clothing and gloves. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.))
RIDADR:  UN 3462 6.1/PG 2