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BETA,BETA-ERGOANNAM
SpectraBase Compound ID K1lFtKVm3j0
InChI InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18?,19?,21-,25?,26?,28+,29-/m1/s1
InChIKey IHDIXBZKTTXKMY-VRSHEUEXSA-N
Mol Weight 573.7 g/mol
Molecular Formula C33H43N5O4
Exact Mass 573.331505 g/mol
Enantiomer InChIKey IHDIXBZKTTXKMY-BENXKMSKSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
New Alkaloids From a Saprophytic Culture of Claviceps purpurea Journal of Natural Products 1984

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