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564-37-4

564-37-4 Structure

564-37-4 Structure
IdentificationBack Directory
[Name]

(8alpha)-12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
[CAS]

564-37-4
[Synonyms]

8a-Epimer
Ergocorninine
Isoergocornine
8-Isoergocornine
Einecs 209-273-2
(8α)-12'-Hydroxy-2',5'α-bis(1-methylethyl)ergotaman-3',6',18-trione
(8alpha)-12'-hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'α,8α)-
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,8alpha)-
[EINECS(EC#)]

209-273-2
[Molecular Formula]

C31H39N5O5
[MDL Number]

MFCD22419189
[MOL File]

564-37-4.mol
[Molecular Weight]

561.67
Chemical PropertiesBack Directory
[Melting point ]

228℃ (decomposition) (ethanol )
[alpha ]

D20 +409° (chloroform)
[Boiling point ]

628.48°C (rough estimate)
[density ]

1.1897 (rough estimate)
[refractive index ]

1.7500 (estimate)
[pka]

9.58±0.60(Predicted)
Safety DataBack Directory
[RIDADR ]

1544
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

8-Isoergocornine is an ergot fungus alkaloid related to Ergocornine (E597350). It is a mycotoxin found in moldy food products.
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