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O-12'-METHYL-ALPHA-ERGOKRYPTINE
SpectraBase Compound ID GXMF362GwN
InChI InChI=1S/C33H43N5O5/c1-18(2)13-26-30(40)37-12-8-11-27(37)33(42-6)38(26)31(41)32(43-33,19(3)4)35-29(39)21-14-23-22-9-7-10-24-28(22)20(16-34-24)15-25(23)36(5)17-21/h7,9-10,14,16,18-19,21,25-27,34H,8,11-13,15,17H2,1-6H3,(H,35,39)/t21-,25?,26+,27+,32-,33+/m1/s1
InChIKey IBKONBFVCDMGDA-LKOQEGODSA-N
Mol Weight 589.7 g/mol
Molecular Formula C33H43N5O5
Exact Mass 589.326419 g/mol
Enantiomer InChIKey IBKONBFVCDMGDA-RNEFDTSKSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Two Unusual Ergopeptines Produced by a Saprophytic Culture of Claviceps purpurea Journal of Natural Products 1987

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