Products 561-94-4

CAS 561-94-4 is the registry number for Ergosine. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, Biosynth. Available pack sizes: on request, 25mg, 0,5mg, 100mg.

Ergosine
Chemat Brand, TRC, Dr. Ehrenstorfer
  • size: on request, 25mg, 0,5mg, 100mg
  • Variants: 4
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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.

Source: ChEBI

Identity
Molecular formulaC30H37N5O5
Molecular weight547.6 g/mol
IUPAC name(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyNESVMZOPWPCFAU-ZPRCMDFASA-N
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Computed by PubChem (NCBI)

Synonyms: Ergosine, alpha-Ergosine, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione, ergosin, Ergosine (Ergoclavine), ERGOSINE [MI], 4-25-00-00961 (Beilstein Handbook Reference), 12'-Hydroxy-2'-methyl-5'alpha-(2-methylpropyl)-3',6',18-trioxoergotaman
Related forms of this compound
(6aR,9S)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C30H37N5O5