8-Isoergocornine
Product Specifications
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; 8-Isoergocornine
Hazard Statement
Toxic if swallowed; UN number: UN1544; Packing Group: III
Smiles
CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C
Molecular Formula
C31 H39 N5 O5
Molecular Weight
561.67
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
Shipping Conditions
Room Temperature
CAS Number
564-37-4
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