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59787-45-0

59787-45-0 Structure

59787-45-0 Structure
IdentificationBack Directory
[Name]

8-chlororugulovasine A
[CAS]

59787-45-0
[Synonyms]

8-chlororugulovasine A
Spiro[benz[cd]indole-5(1H),2'(5'H)-furan]-5'-one, 8-chloro-3,4-dihydro-4'-methyl-4-(methylamino)-, (2'R,4S)-rel-
[Molecular Formula]

C16H15ClN2O2
[MOL File]

59787-45-0.mol
[Molecular Weight]

302.76
Chemical PropertiesBack Directory
[Melting point ]

Ci o . NHMe
[Boiling point ]

567.985±50.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.423±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[pka]

15.192±0.60(predicted)
Hazard InformationBack Directory
[Description]

When Penicillium islandicum is grown on freshly dug green peanuts it elaborates two chlorine-containing alkaloids which are the first naturally occurring chlorinated ergot bases discovered. The bases have been separated by chromatography on silica gel and are stereoisomeric, being readily interconverted by refluxing in methanol. This alkaloid forms an amorphous white powder and has the structure shown above which is based upon spectroscopic data.
[References]

Cole et ai., Can. 1. Microbiol., 22, 741 (1976)
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