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Basic Information
CAS No.: 4611-05-6
Name: OPHIOBOLIN A
Molecular Structure:
Molecular Structure of 4611-05-6 (OPHIOBOLIN A)
Formula: C25H36O4
Molecular Weight: 400.558
Synonyms: COCHLIOBOLIN A;(18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-diene-25-al;18-epoxy-3-hydroxy-5-oxo-19-dien-25-a(18r)-ophiobola-14;cochliobolin;ophiobolin;(7E,18R)-3-hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al;OPHIOBOLIN A;Ophiobolin,Helminthosporium sp.;orphiobolin A;(18R)-14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al;
Density: 1.14g/cm3
Melting Point: 182°C
Boiling Point: 539.4°Cat760mmHg
Flash Point: 177.8°C
Hazard Symbols: Xn
Risk Codes: R20/21/22
Safety: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
PSA: 63.60000
LogP: 4.40800
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Chemistry

IUPAC Name: Cochliobolin 
Synonyms of Cochliobolin (CAS NO.4611-05-6) : (18R)-14,18-Epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al  ; Cochliobolin A ; Ophiobolin- A from Helminthosporium sp.
CAS NO:4611-05-6
Molecular Formula:C25H36O4  
Molecular Weight :400.5509
Molecular Structure :
Index of Refraction: 1.554 
Surface Tension: 45.2 dyne/cm 
Density: 1.14 g/cm3 
Flash Point: 177.8 °C 
Enthalpy of Vaporization: 93.93 kJ/mol 
Boiling Point: 539.4 °C at 760 mmHg 
Vapour Pressure: 6.91E-14 mmHg at 25°C 
Storage temp:  2-8°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 21mg/kg (21mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 143, 1981.
mouse LD50 intravenous 12mg/kg (12mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 143, 1981.
mouse LD50 oral 238mg/kg (238mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 143, 1981.
mouse LD50 subcutaneous 73mg/kg (73mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 143, 1981.

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When Cochliobolin (CAS NO.4611-05-6) is heated to decomposition it emits acrid smoke and fumes.

Hazard Codes HarmfulXn
Risk Statements 20/21/22
R20/21/22: Cochliobolin (CAS NO.4611-05-6) is harmful by inhalation, in contact with skin and if swallowed.
Safety Statements 36
S36:Wear suitable protective clothing.
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS RL1576000