Products 596-88-3

CAS 596-88-3 is the registry number for Ergosinine. Offered by: TRC, Dr. Ehrenstorfer, Biosynth. Available pack sizes: 25mg, 0,125mg, 0,25mg.

Ergosinine
TRC, Dr. Ehrenstorfer, Biosynth
  • size: 25mg, 0,125mg, 0,25mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(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 (CAS 596-88-3) is a chemical compound with the molecular formula C30H37N5O5 and a molecular weight of 547.6 g/mol. IUPAC name: (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. InChIKey: NESVMZOPWPCFAU-YTVPIDCWSA-N.

Identity
Molecular formulaC30H37N5O5
Molecular weight547.6 g/mol
IUPAC name(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
InChIKeyNESVMZOPWPCFAU-YTVPIDCWSA-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: Ergosinine, Ergoclavinine, .ALPHA.-ERGOSININE, 12'-Hydroxy-2'-methyl-5'alpha-(2-methylpropyl)-3',6',18-trioxo-8alpha-ergotaman
Related forms of this compound
(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 C30H37N5O5