8-Isoergocornine
CAS:
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
Brand:TRC
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);
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Chemical properties
Molecular weight:561.67
Formula:C31H39N5O5
Color/Form:Neat
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