| Identification | Back Directory | [Name]
(8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione | [CAS]
511-07-9 | [Synonyms]
8a-isomer
Ergocristinine
Isoergocristine
Einecs 208-119-1
(8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
(8α)-12'-Hydroxy-2'-isopropyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,8α)-
(5'alpha,8alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,8alpha)- | [EINECS(EC#)]
208-119-1 | [Molecular Formula]
C35H39N5O5 | [MDL Number]
MFCD22419190 | [MOL File]
511-07-9.mol | [Molecular Weight]
609.71 |
| Chemical Properties | Back Directory | [Melting point ]
226℃ (decomposition) (ethanol ) | [alpha ]
D20 +366° (c = 0.68 in chloroform); +471° (c = 0.35 in pyridine) | [Boiling point ]
655.69°C (rough estimate) | [density ]
1.1839 (rough estimate) | [refractive index ]
1.7210 (estimate) | [pka]
9.59±0.60(Predicted) |
| Hazard Information | Back Directory | [Uses]
Isoergocristine is an ergot fungus alkaloid related to Ergocristine (E597450). It is a mycotoxin found in moldy food products. |
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