8-Isoergocornine

CAS: 564-37-4

Ref. TR-I815710

Product Information

• Name: 8-Isoergocornine
• Synonyms: Ergocorninine (6CI,7CI,8CI), (5'α,8α)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trione deriv., Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv., 8-Epiergocornine, (5'Alpha,8Alpha)-12'-Hydroxy-2',5'-Bis(1-Methylethyl)-3',6',18-Trioxoergotaman, (5Alpha,5'Beta)-12'-Hydroxy-3',6',18-Trioxo-2',5'-Di(Propan-2-Yl)Ergotaman, (5′α,8α)-12′-Hydroxy-2′,5′-bis(1-methylethyl)ergotaman-3′,6′,18-trione, (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv., Ergocorninine, Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,8alpha)-, Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′,5′-bis(1-methylethyl)-, (5′α,8α)-, Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv., Isoergocornine
• CAS: 564-37-4

Description

Applications 8-Isoergocornine is an ergot fungus alkaloid related to Ergocornine (E597350). It is a mycotoxin found in moldy food products.
References Sulyok, M., et al.: Anal. Bioanal. Chem., 389, 1505 (2007); Krska, R., et al.: Anal. Bioanal. Chem., 391, 563 (2008); Sulyok, M., et al.: Food Chem., 119, 408 (2009);

• Brand: TRC

Chemical properties

• Molecular weight: 561.67
• Formula: C₃₁H₃₉N₅O₅
• InChI: InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23+,24-,26-,30+,31-/m0/s1
• InChI key: InChIKey=UJYGDMFEEDNVBF-KMKPOGODSA-N
• SMILES: CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12