Ergocornine
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Ergocornine
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CAS No:
564-36-3
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Formula:
C31H39N5O5
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Chemical Name:
Ergocornine
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′,5′-bis(1-methylethyl)-,(5′α)-;Ergocornine;Indolo[4,3-fg]quinoline,ergotaman-3′,6′,18-trione deriv.;8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine,ergotaman-3′,6′,18-trione deriv.;(5′α)-12′-Hydroxy-2′,5′-bis(1-methylethyl)ergotaman-3′,6′,18-trione;Ergocornin;NSC 407316;10023-57-1;47825-65-0;47824-76-0;1080513-71-8
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CAS No:
Description
ChEBI: Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.
Ergocornine is ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. It derives from a hydride of an ergotaman.
Characteristics
118
3.55
white solid
1.4±0.1 g/cm3
182-184 °C (decomp) @ Solvent: Methanol
628.48°C (rough estimate)
472.9±34.3 °C
1.689
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL
D20 -110° (pyridine); -175° (chloroform)
Ergocornine Use and Manufacturing
Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine was isolated from Ergot.
Computed Properties
Molecular Weight:561.7
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:561.29511936
Monoisotopic Mass:561.29511936
Topological Polar Surface Area:118
Heavy Atom Count:41
Complexity:1170
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes