Ergosine
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Ergosine
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CAS No:
561-94-4
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Formula:
C30H37N5O5
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Chemical Name:
Ergosine
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Synonyms:
Ergotaman-3′,6′,18-trione,12′-hydroxy-2′-methyl-5′-(2-methylpropyl)-,(5′α)-;Ergosine;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′-methyl-5′-(2-methylpropyl)ergotaman-3′,6′,18-trione;α-Ergosine;NSC 122047
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CAS No:
Description
ChEBI: An ergot alkaloid isolated from the fungus Epichloe typhina.
Ergosine is an ergot alkaloid isolated from the fungus Epichloe typhina. It has a role as a fungal metabolite. It derives from a hydride of an ergotaman.
Characteristics
118
3.20
1.4±0.1 g/cm3
208-212 °C (decomp)
620.23°C (rough estimate)
474.7±34.3 °C
1.700
D20 -161° (chloroform)
Safety Information
III
6.1(b)
1544
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:547.6
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:547.27946930
Monoisotopic Mass:547.27946930
Topological Polar Surface Area:118
Heavy Atom Count:40
Complexity:1140
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes